2H-1-苯并吡喃-2-酮,8-[(3,3-二甲基-2-环氧乙烷基)甲基]-7-甲氧基- | 489-53-2
2H-1-苯并吡喃-2-酮,8-[(3,3-二甲基-2-环氧乙烷基)甲基]-7-甲氧基-
2H-1-Benzopyran-2-one,8-[(3,3-dimethyl-2-oxiranyl)methyl]-7-methoxy-
489-53-2
C15H16O4
260.28514
名称和标识符
InChIKey |
LSZONYLDFHGRDP-UHFFFAOYSA-N |
Inchi |
InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3 |
SMILES |
COC1=CC=C2C=CC(OC2=C1CC1OC1(C)C)=O |
别名信息
- 英文别名 -
- 2H-1-Benzopyran-2-one,8-[(3,3-dimethyl-2-oxiranyl)methyl]-7-methoxy-
- 7-Methoxy-8-(3,3-dimethylglycidyl)-2H-1-benzopyran-2-one
- 8-[(3,3-Dimethyl-2-oxiranyl)methyl]-7-methoxy-2H-chromen-2-one
- AURAPTEN
- 6-methoxycarbonylhexanoic acid
- 7-methoxy-8-(2',3'-epoxyisopentyl)coumarin
- 8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxycoumarin
- AC1Q5W40
- adipic acid monomethyl ester
- CTK4E3796
- EINECS 243-693-7
- Heptanedioic acid, monomethyl ester
- Heptanedioic acid,1-methyl ester
- Methyl hydrogen heptane-1,7-dioate
- methyl hydrogenpimelate
- monomethyl heptanedioate
- Monomethyl pimelate
- pimelic acid monomethyl ester
- 8-[[(2S)-3,3-Dimethyl-2-oxiranyl]methyl]-7-methoxy-2H-1-benzopyran-2-one
- (-)-Meranzin
- CHEBI:174412
- (R)-Meranzin
- NP106
- AKOS030488681
- 8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxychromen-2-one
- 8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxy-2H-chromen-2-one
- 489-53-2
- 8-((3,3-dimethyloxiran-2-yl)methyl)-7-methoxy-2H-chromen-2-one
- CHEMBL52267
物化性质
实验特性
计算特性
精确分子量 |
260.10488 |
氢键供体数量 |
0 |
氢键受体数量 |
4 |
可旋转化学键数量 |
3 |
同位素质量 |
260.10485899g/mol |
重原子数量 |
19 |
复杂度 |
401 |
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 |
1 |
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) |
2.5 |
拓扑分子极性表面积 |
48.1Ų |