3-(Pentan-2-yl)phenyl hydrogen (hydroxymethyl)carbonimidate
Basic information
- CAS
34893-24-8- Standard SMILES
CCCC(C)c1cccc(OC(=O)NCO)c1- InChIKey
IQEQQAJTJCCGFX-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- 3-(Pentan-2-yl)phenyl hydrogen (hydroxymethyl)carbonimidate
- IUPAC
- (3-pentan-2-ylphenyl) N-(hydroxymethyl)carbamate
Names & synonyms
34893-24-8DTXSID009563713-(Pentan-2-yl)phenyl hydrogen (hydroxymethyl)carbonimidateRefChem:1067207DTXCID901384337(Hydroxymethyl)carbamic acid 3-(1-methylbutyl)phenyl esterBRN 22830703-(1-Methylbutyl)phenyl N-hydroxymethylcarbamateCARBAMIC ACID, (HYDROXYMETHYL)-, 3-(1-METHYLBUTYL)PHENYL ESTER
Database identifiers
- CAS
34893-24-8- PubChem CID
- 36984
- DTXSID
DTXSID00956371
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
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Compound notes
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