Basic information
- CAS
110047-13-7- Standard SMILES
Cc1ccc(C)c(OC(N)=O)c1- InChIKey
MDSWSNBMVSKNHN-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Carbamic acid, 2,5-xylyl ester
- IUPAC
- (2,5-dimethylphenyl) carbamate
Names & synonyms
2,5-Dimethylphenyl carbamateCARBAMIC ACID, 2,5-XYLYL ESTER2,5-Xylyl ester of carbamic acid110047-13-7BRN 1948085DTXSID801491282-06-00-00467 (Beilstein Handbook Reference)RefChem:332266DTXCID6071619SCHEMBL11471602
Database identifiers
- CAS
110047-13-7- PubChem CID
- 60397
- DTXSID
DTXSID80149128- Nikkaji
- J67.114B
Properties
Computed structural properties
- XLogP
- 1.6
- 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
Loading…