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a-Oxobenzenepropanoic Acid | 156-06-9

Product Name:a-Oxobenzenepropanoic Acid

CAS No:156-06-9
MF:C9H8O3
MW:164.1580
MDL:MFCD00002589
CID:36632
PubChem ID:87574405
Introduction
        苯丙酮酸(2-Oxo-3-phenylpropanoic acid)白色结晶,溶于醇、醚、苯等溶剂,可用于酮苯丙氨酸钙的中间体。
Names and Identifiers
  • 2-Oxo-3-phenylpropanoic acid
  • ALPHA-KETO-DL-PHENYLALANINE
  • 3-PHENYLPYRUVIC ACID
  • 3-PHENYL-2-OXOPROPIONIC ACID
  • 2-OXOPHENYLPROPIONIC ACID
  • 2-OXO-3-PHENYLPROPIONIC ACID
  • 2-KETOHYDROCINNAMIC ACID
  • BETA-PHENYLPYRUVIC ACID
  • BENZYLGLYOXYLIC ACID
  • .alpha.-oxo-Benzenepropanoicacid
  • 2-Hydroxy-3-phenylpropenoic acid
  • 3-Phenyl-2-oxopropanoic acid
  • alpha-oxo-benzenepropanoicaci
  • Phenylpyroracemic acid
  • PHENYLPYRUVIC ACID(RG)
  • 2-oxo-3-(phenyl)propionic acid
  • 2-Oxo-3-phenylpropanoic acid,2-Oxo-3-phenylpropionic acid
  • L-PHENYLPYRUVICACID
  • phenylpyruvate
  • phenylpyruvic
  • Pyruvic acid,phenyl
  • α-Keto-DL-phenylalanine
  • Pyruvic acid, phenyl-
  • PHENYLPYRUVIC ACID
  • keto-phenylpyruvate
  • b-phenylpyruvic acid
  • 3-phenyl-2-oxopropanoate
  • alpha-ketohydrocinnamic acid
  • Benzenepropanoic acid, .alpha.-oxo-
  • 2-oxo-3-phenyl-propionic acid
  • 2-oxo-3-phenyl-propanoic acid
  • PHENYLPYRUVIC ACID, REAG
  • Benzenepropanoic
  • Benzenepropanoic acid, alpha-oxo-
  • BTNMPGBKDVTSJY-UHFFFAOYSA-N
  • X7CO62M413
  • PPY
  • 2-Oxo-3-phenylp
  • Phenylpyruvic acid 98%
  • Phenylpyruvic acid
  • Phenylpyruvate
  • alpha-Ketohydrocinnamic acid
  • 3-Phenyl-2-oxopropanoate
  • 114-76-1
  • 3-phenylpyruvate
  • keto-phenylpyruvic acid
  • Phenylbrenztraubensaeure
  • alpha-oxo-benzenepropanoic acid
  • 156-06-9
  • beta-phenylpyruvic acid
  • keto-Phenylpyruvate
  • 3-(4-hydroxyphenyl)pyruvate
  • 3-phenylpyruvic acid
  • 3-phenyl-2-oxopropanoic acid
  • MDL:MFCD00002589
  • InChIKey:BTNMPGBKDVTSJY-UHFFFAOYSA-N
  • Inchi:1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
  • SMILES:O=C(C(=O)O[H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
  • BRN:2207312
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 164.04700
  • 氢键供体数量: 1
  • 氢键受体数量: 3
  • 可旋转化学键数量: 3
  • 同位素质量: 164.047344
  • 重原子数量: 12
  • 复杂度: 180
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 0
  • 不确定原子立构中心数量: 0
  • 确定化学键立构中心数量: 0
  • 不确定化学键立构中心数量: 0
  • 共价键单元数量: 1
  • 疏水参数计算参考值(XlogP): 1.3
  • 互变异构体数量: 2
  • 表面电荷: 0
  • 拓扑分子极性表面积: 54.4

Experimental Properties

  • LogP: 0.88280
  • PSA: 54.37000
  • 沸点: 299.1°Cat760mmHg
  • 熔点: 150-154 °C (lit.)
  • 闪点: 148.9°C
  • FEMA: 3892 | 2-OXO-3-PHENYLPROPIONIC ACID
  • 颜色与性状: 白色结晶
  • 溶解性: 溶于醇、醚、苯等溶剂
  • 敏感性: Light & Air Sensitive & Hygroscopic
  • 密度: 1.2570
Security Information
  • Symbol: GHS07
  • WGK Germany:3
  • 安全说明:S22-S24/25
  • 风险术语:R36/37/38
  • 危險品標誌: Xi Xi
  • 危险品运输编号:NONH for all modes of transport
  • 危害声明:H315-H319
  • 警示性声明:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
  • 提示语:警告
  • 储存条件:−20°C
  • 危险类别码:36/37/38
  • FLUKA BRAND F CODES:3-8-10-23
Customs Data
  • 海关数据:

    中国海关编码:

    2918300090

    概述:

    2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

    申报要素:

    品名, 成分含量, 用途

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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