Basic information
- CAS
564-24-9- Standard SMILES
CC1=CCCC(C)(C)C1C(=O)O- InChIKey
DSXREEOZPPFGJQ-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 2,6,6-Trimethylcyclohex-2-ene-1-carboxylic acid
- IUPAC
- 2,6,6-trimethylcyclohex-2-ene-1-carboxylic acid
- English name
- 2,6,6-trimethylcyclohex-2-ene-1-carboxylic acid
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
2,6,6-Trimethylcyclohex-2-ene-1-carboxylic acid564-24-9ALPHA-CYCLOGERANIC ACID2,6,6-Trimethylcyclohex-2-enecarboxylic acidCyclogeranic acidEINECS 209-270-6Isotretinoin Impurity 29HGT5FN6P2U2,6,6-trimethyl-2-cyclohexene-1-carboxylic acidSCHEMBL9342143DTXSID80971840DSXREEOZPPFGJQ-UHFFFAOYSA-N
Show more names
NS000428092,6,6-trimethyl-cyclohex-2-ene-1-carboxylic acid2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-
Database identifiers
- CAS
564-24-9- PubChem CID
- 102437
- DTXSID
DTXSID80971840- UNII
- HGT5FN6P2U
- EC Number
- 209-270-6
- Nikkaji
- J188.427A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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