Carbamic acid, 3-methylphenyl, ethyl ester
Basic information
- CAS
6135-33-7- Standard SMILES
CCOC(=O)Nc1cccc(C)c1- InChIKey
XYSNXNHHBUFLLV-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Carbamic acid, 3-methylphenyl, ethyl ester
- IUPAC
- ethyl N-(3-methylphenyl)carbamate
Names & synonyms
Carbamic acid, 3-methylphenyl, ethyl esterm-Tolylurethan6135-33-7SCHEMBL3117227SCHEMBL3424143Ethyl (3-methylphenyl)carbamateDTXSID00335940XYSNXNHHBUFLLV-UHFFFAOYSA-NAKOS002937716Carbamic acid, 3-methylphenyl-, ethyl ester
Database identifiers
- CAS
6135-33-7- PubChem CID
- 528087
- DTXSID
DTXSID00335940
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
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Compound notes
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