Basic information
- CAS
18731-58-3- Standard SMILES
Cc1ccccc1OC(=O)C1CCCCC1- InChIKey
UTBUSXPYYDGYGA-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- o-Tolyl cyclohexanecarboxylate
- IUPAC
- (2-methylphenyl) cyclohexanecarboxylate
- English name
- o-tolyl cyclohexanecarboxylate
- Molecular formula
- C14H18O2
- Molecular weight
- 218.29
Names & synonyms
o-Tolyl cyclohexanecarboxylate2-Methylphenyl cyclohexanecarboxylate18731-58-3Cyclohexanecarboxylic acid, 2-methylphenyl ester(2-methylphenyl) cyclohexanecarboxylateEINECS 242-541-7o-cresyl cyclohexanecarboxylateG268Z47DATSCHEMBL11590449DTXSID10172040AKOS0029482302-Methylphenyl cyclohexanecarboxylate #
Show more names
Cyclohexanecarboxylic acid 2-methylphenyl ester
DB-159785NS00026121AN-652/41793082
Database identifiers
- CAS
18731-58-3- PubChem CID
- 87765
- DTXSID
DTXSID10172040- UNII
- G268Z47DAT
- EC Number
- 242-541-7
- Nikkaji
- J222.287F
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- Boiling point
- 313.2 · 313.2±11.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
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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