Basic information
- CAS
1427158-38-0- Standard SMILES
O=C(O)[C@]12COC[C@H]1C2- InChIKey
KXQPXWJVQITPAZ-INEUFUBQSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
Names & identifiers
- Preferred name
- (1S,5S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
- IUPAC
- (1S,5S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
- English name
- (1S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
- Molecular formula
- C6H8O3
- Molecular weight
- 128.13
Names & synonyms
(1S,5S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid1427158-38-0MFCD32741245(1S,5S)-3-oxa-bicyclo[3.1.0]hexane-1-carboxylic acidSCHEMBL26112225BS-46268SY294653F77049EN300-2499407F864575(1S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid(1S,5S)-3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid - [X88632]
Database identifiers
- CAS
1427158-38-0
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 266.751 · 266.751±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.498 · 1.498±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.471 · 4.471±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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