Carbamic acid, (2-methylphenyl)-, 2-furanylmethyl ester
Basic information
- CAS
199443-39-5- Standard SMILES
Cc1ccccc1NC(=O)OCc1ccco1- InChIKey
NMRUWTCMIMIWOS-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- Carbamic acid, (2-methylphenyl)-, 2-furanylmethyl ester
- IUPAC
- furan-2-ylmethyl N-(2-methylphenyl)carbamate
- English name
- FURFURYL N-(O-TOLYL)CARBAMATE
- Molecular formula
- C13H13NO3
- Molecular weight
- 231.25
Names & synonyms
199443-39-5Carbamic acid, (2-methylphenyl)-, 2-furanylmethyl esterRefChem:331963FURFURYL N-(O-TOLYL)CARBAMATEDTXSID301206864AKOS024336021(Furan-2-yl)methyl (2-methylphenyl)carbamate
Database identifiers
- CAS
199443-39-5- PubChem CID
- 5201063
- DTXSID
DTXSID301206864
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 310.227 · 310.227±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.485 · 13.485±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…