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31037-42-0 | Carbamic acid, N-(hydroxymethyl)-, phenylmethyl ester
CAS No: 31037-42-0 Catalog No: AG0031YJ MDL No:
Product Description
Catalog Number:
AG0031YJ
Chemical Name:
Carbamic acid, N-(hydroxymethyl)-, phenylmethyl ester
CAS Number:
31037-42-0
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
benzyl N-(hydroxymethyl)carbamate
InChI:
InChI=1S/C9H11NO3/c11-7-10-9(12)13-6-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)
InChI Key:
RWFPWQCNFWWIAE-UHFFFAOYSA-N
SMILES:
OCNC(=O)OCc1ccccc1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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