Basic information
- CAS
18731-59-4- Standard SMILES
Cc1cccc(OC(=O)C2CCCCC2)c1- InChIKey
WSOGYYKXYMIDJU-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 3-Methylphenyl cyclohexanecarboxylate
- IUPAC
- (3-methylphenyl) cyclohexanecarboxylate
- English name
- 3-methylphenyl cyclohexanecarboxylate
- Molecular formula
- C14H18O2
- Molecular weight
- 218.29152
Names & synonyms
3-Methylphenyl cyclohexanecarboxylate18731-59-4Cyclohexanecarboxylic acid, 3-methylphenyl ester(3-methylphenyl) cyclohexanecarboxylateEINECS 242-542-2AF7PP7CPM4m-Tolyl cyclohexanecarboxylatem-cresyl cyclohex-anecarboxylateSCHEMBL6748812SCHEMBL41936613DTXSID70172041Cyclohexanecarboxylic acid, m-tolyl ester
Show more names
Cyclohexanecarboxylic acid 3-methylphenyl ester
NS00026122
Database identifiers
- CAS
18731-59-4- PubChem CID
- 87766
- DTXSID
DTXSID70172041- UNII
- AF7PP7CPM4
- EC Number
- 242-542-2
- Nikkaji
- J222.288D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- FDA UNII
- 7 PP7CPM4 · AF7PP7CPM4
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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