Basic information
- CAS
1128-78-5- Standard SMILES
CNC(=O)Oc1ccccc1C- InChIKey
JDIMVGGWYBWUIS-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, 2-methylphenyl ester
- IUPAC
- (2-methylphenyl) N-methylcarbamate
Names & synonyms
Carbamic acid, methyl-, 2-methylphenyl ester1128-78-52-Methylphenyl methylcarbamate2-Methylphenyl-N-methylcarbamateo-TolylmethylcarbamateSCHEMBL8927725SCHEMBL8927729CHEMBL20468142-Methylphenyl methylcarbamate #DTXSID70150182JDIMVGGWYBWUIS-UHFFFAOYSA-NCarbamic acid, N-methyl, 2-methylphenyl ester
Database identifiers
- CAS
1128-78-5- PubChem CID
- 70786
- DTXSID
DTXSID70150182- ChEMBL
CHEMBL2046814- Nikkaji
- J743.947D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
LogP1.46
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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