Basic information
- CAS
18999-70-7- Standard SMILES
CC1(C)Cc2cccc(OC(=O)NCO)c2O1- InChIKey
KOSJTCHIQRJJLQ-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- Carbamic acid, (hydroxymethyl)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(hydroxymethyl)carbamate
Names & synonyms
N-HydroxymethylcarbofuranBRN 1380621CARBAMIC ACID, (HYDROXYMETHYL)-, 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL ESTERDTXSID30172441(Hydroxymethyl)carbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:332229DTXCID609493218999-70-72,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (hydroxymethyl)carbamate
Database identifiers
- CAS
18999-70-7- PubChem CID
- 29374
- DTXSID
DTXSID30172441- Nikkaji
- J855.468D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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