Basic information
- CAS
134176-18-4- Standard SMILES
CCOC(=O)C1C2CCC(=O)C21- InChIKey
WTXWGJHLNCVWJH-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
- IUPAC
- ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
- English name
- Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate134176-18-4176199-53-4MFCD22572439SCHEMBL568634DTXSID60340510BHA19953AKOS016005015DS-4019CS-0062436SY120959DB-351420
Show more names
rel-Ethyl (1R,5S,6R)-2-oxobicyclo[3.1.0]hexane-6-carboxylateethyl rel-(1S,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylateEthyl (1alpha,5alpha,6alpha)-2-oxobicyclo(3.1.0)hexane-6-carboxylate(1SR,5RS,6SR)-2-Oxobicyclo[3.1.0]hexane-6-carboxylic acid ethyl ester(1R,5S,6R)-Ethyl 1,5-dimethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate(1R,5S,6R)-rel-2-Oxobicyclo[3.1.0]hexane-6-carboxylic acid ethyl esterBicyclo[3.1.0]hexane-6-carboxylic acid, 2-oxo-, ethyl ester, (1R,5S,6R)-rel-
EN300-201436W16793Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate #F229552Bicyclo[3.1.0]hexane-6-carboxylicacid,2-oxo-,ethylester(1SR,5RS,6SR)Ethyl 2-Oxobicyclo[3.1.0]hexane-6-carboxylate(1SR,5RS,6SR) ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylateethyl (1SR,5RS,6SR)-2-oxo-bicyclo[3.1.0]hexane-6-carboxylate
Database identifiers
- CAS
134176-18-4- PubChem CID
- 565357
- DTXSID
DTXSID60340510
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 250 ℃ · 250℃
- Density
- 1.217 · 1.217
- Flash point
- 105 ℃ · 105℃
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to light yellow Solid
- optical activity
- -0.1 ° · -0.1°(C=0.91g/100ml MEOH)
Chemistry & industry
Suppliers18 total
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海迪凯蒙生物医药科技有限公司15901859516 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Golden Pharma Co., Limited+86-18958062155 · [email protected]
Related reactions
32 records
Compound notes
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