Basic information
- CAS
65853-67-0- Standard SMILES
COc1cccc(C(=O)Oc2ccccc2)c1- InChIKey
ZAUTUSIGKHWTSX-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- Phenyl 3-methoxybenzoate
- IUPAC
- phenyl 3-methoxybenzoate
- English name
- Benzoic acid, 3-methoxy-, phenyl ester
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
Phenyl 3-methoxybenzoate65853-67-0m-Methoxybenzoic acid, phenyl esterDTXSID00334877RefChem:369645DTXCID50285966ZAUTUSIGKHWTSX-UHFFFAOYSA-Nphenyl m-anisateCTK1J5654Benzoic acid, 3-methoxy-, phenyl esterPhenyl 3-methoxybenzoate #SCHEMBL5685008
Show more names
SCHEMBL27575507SCHEMBL28519972MFCD00560982AKOS003037235SS-5102
Database identifiers
- CAS
65853-67-0- PubChem CID
- 522188
- DTXSID
DTXSID00334877- Nikkaji
- J2.600.525F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- 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
Suppliers2 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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