3-氧-3,4-二氢-1,4-苯并恶嗪-6-甲酸 | 134997-87-8
3-氧-3,4-二氢-1,4-苯并恶嗪-6-甲酸
3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
134997-87-8
C9H7NO4
193.1562
名称和标识符
MDL |
MFCD03036647 |
InChIKey |
CIYUDMUBYRVMLP-UHFFFAOYSA-N |
Inchi |
1S/C9H7NO4/c11-8-4-14-7-2-1-5(9(12)13)3-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13) |
SMILES |
O1C([H])([H])C(N([H])C2C([H])=C(C(=O)O[H])C([H])=C([H])C1=2)=O |
别名信息
- 中文别名 -
- 3-氧-3,4-二氢-2H-1,4-苯并噁嗪-6-羧酸
- 3-氧-3,4-二氢-2H-1,4-苯并恶嗪-6-羧基 酸
- 对甲苯基四氮唑红
- 3-氧-3,4-二氢-1,4-苯并恶嗪-6-甲酸
- 3-氧代-3,4-二氢-2H-苯并[1,4]恶嗪-6-羧酸
- 英文别名 -
- 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylic acid
- 2H-1,4-Benzoxazine-6-carboxylicacid, 3,4-dihydro-3-oxo-
- 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
- 6-Carboxy-2,3-dihydro-3-oxo-4H-1,4-benzoxazine
- 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid(SALTDATA: FREE)
- 3-oxo-4H-1,4-benzoxazine-6-carboxylic acid
- 2H-1,4-Benzoxazine-6-carboxylic acid, 3,4-dihydro-3-oxo-
- CIYUDMUBYRVMLP-UHFFFAOYSA-N
- 3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid
- 3-oxo-2,4-dihydro-1,4-benzoxazine-6-carboxylic acid
- 3-oxo-2H,4H-benzo[e]1,4-oxazaperhydroine-6-carboxylic acid
- 3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXY
- 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
- 3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-carboxylic acid
- 3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLIC ACID
- AKOS000674433
- 3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXYLICACID
- WAY-228953
- Z57472861
- 6-carboxy-4H-benzo[1,4]oxazin-3-one
- SY081389
- -oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylic acid
- MFCD03036647
- EN300-13491
- 1,4-benzoxazine-3-one-6-carboxylic acid
- CS-0067802
- BB 0258375
- SR-01000536973
- SCHEMBL532793
- 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLICACID
- TS-00265
- 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLIC ACID
- 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid, AldrichCPR
- FT-0600176
- MB02577
- 134997-87-8
- SR-01000536973-1
- DTXSID20351647
- 3-Oxo-3,4-dihydro-2H-benzo1,4oxazine-6-carboxylic acid
- Oprea1_565476
- AKOS025285395
物化性质
实验特性
LogP |
0.85370 |
PSA |
75.63000 |
熔点 |
310-314 ºC |
溶解度 |
微溶 (5.6 g/L) (25 ºC), |
密度 |
1.459±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
193.03800 |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
1 |
同位素质量 |
193.03750770g/mol |
重原子数量 |
14 |
复杂度 |
266 |
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) |
0.4 |
拓扑分子极性表面积 |
75.6 |
海关数据
海关编码 |
2934999090 |
海关数据 |
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
|