Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester
Basic information
- CAS
3971-89-9- Standard SMILES
CNC(=O)Oc1ccc(C)c(C)c1C- InChIKey
QDTDXNJDLXKLLJ-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester
- IUPAC
- (2,3,4-trimethylphenyl) N-methylcarbamate
Names & synonyms
3971-89-92,3,4-Trimethylphenyl methylcarbamateBRN 2265137CARBAMIC ACID, METHYL-, 2,3,4-TRIMETHYLPHENYL ESTERPhenol, 2,3,4-trimethyl-, methylcarbamateDTXSID10192788RefChem:332529DTXCID50115279SCHEMBL7168856
Database identifiers
- CAS
3971-89-9- PubChem CID
- 19873
- DTXSID
DTXSID10192788- Nikkaji
- J69.516E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
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Compound notes
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