Basic information
- CAS
110047-12-6- Standard SMILES
Cc1cccc(OC(N)=O)c1C- InChIKey
BRCWUAZOJNULLQ-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Carbamic acid, 2,3-xylyl ester
- IUPAC
- (2,3-dimethylphenyl) carbamate
Names & synonyms
2,3-Dimethylphenyl carbamate2,3-Xylyl ester of carbamic acid110047-12-6CARBAMIC ACID, 2,3-XYLYL ESTERBRN 1947501DTXSID20149127RefChem:332262DTXCID1071618dimethylphenyl carbamateSCHEMBL473084SCHEMBL31498232
Database identifiers
- CAS
110047-12-6- PubChem CID
- 60396
- DTXSID
DTXSID20149127- Nikkaji
- J67.113D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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