Basic information
- CAS
23364-22-9- Standard SMILES
O=C(O)C(=O)[C@H]1CC=CCC1- InChIKey
XJVDGWZMESEVTD-LURJTMIESA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Overview
3-cyclohexeneglyoxylic acid
Names & identifiers
- Preferred name
- Ketomycin
- IUPAC
- 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid
- English name
- ketomycin
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
Ketomycin23364-22-9RefChem:924134(R)-alpha-Oxo-3-cyclohexene-1-acetic acid2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid(R)-2-(Cyclohex-3-en-1-yl)-2-oxoacetic acidAntibiotic R-3Antibiotic T 86ACyclohexenyl-1-glyoxalic acidBRN 29649003-Cyclohexene-1-acetic acid, alpha-oxo-, (R)-3-Cyclohexene-1-glyoxylic acid, (R)-
Show more names
(R)-α-Oxo-3-cyclohexene-1-acetic acid3-Cyclohexene-1-acetic acid, α-oxo-, (1R)-
starbld0000865(R)-3-Cyclohexenylglyoxylsaureorb17021373-Cyclohexene-1-acetic acid, alpha-oxo-, (R)- (9CI)SCHEMBL29884986DTXSID00946035AKOS040746953(Cyclohex-3-en-1-yl)(oxo)acetic acid
Database identifiers
- CAS
23364-22-9- PubChem CID
- 19489
- DTXSID
DTXSID00946035- Nikkaji
- J40.717H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 253.261 · 253.261±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.627 · 2.627±0.54(predicted)
- FDA UNII
- 2 HHW84CWN3 · 2HHW84CWN3
Chemistry & industry
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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