3-Methylphenyl prop-2-enoate
Basic information
- CAS
13633-85-7- Standard SMILES
C=CC(=O)Oc1cccc(C)c1- InChIKey
LPSGUCOEDCVQHQ-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 3-Methylphenyl prop-2-enoate
- IUPAC
- (3-methylphenyl) prop-2-enoate
Names & synonyms
13633-85-72-Propenoic acid, 3-methylphenyl ester3-Methylphenyl prop-2-enoateSCHEMBL1592324SCHEMBL7251089SCHEMBL23581631DTXSID30548602
Database identifiers
- CAS
13633-85-7- PubChem CID
- 13759502
- DTXSID
DTXSID30548602- Nikkaji
- J799.813I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…