Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate

HCID 565357

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

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]

Related reactions

32 records

Compound notes

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