Carbamic acid, (3,4-dihydroxyphenyl)-, 1-methyl ethyl ester
Basic information
- CAS
37763-33-0- Standard SMILES
CC(C)OC(=O)Nc1ccc(O)c(O)c1- InChIKey
ZBTNAQLCOYWWLS-UHFFFAOYSA-N- Molecular formula
- C10H13NO4
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0844579
Names & identifiers
- Preferred name
- Carbamic acid, (3,4-dihydroxyphenyl)-, 1-methyl ethyl ester
- IUPAC
- propan-2-yl N-(3,4-dihydroxyphenyl)carbamate
Names & synonyms
37763-33-0Carbamic acid, (3,4-dihydroxyphenyl)-, 1-methyl ethyl esterDTXSID60958816Propan-2-yl hydrogen (3,4-dihydroxyphenyl)carbonimidate
Database identifiers
- CAS
37763-33-0- PubChem CID
- 181542
- DTXSID
DTXSID60958816
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
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Compound notes
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