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81863-34-5 | Carbamic acid, [3-(hydroxymethyl)phenyl]-, methyl ester
CAS No: 81863-34-5 Catalog No: AG005H57 MDL No:MFCD12777042
Product Description
Catalog Number:
AG005H57
Chemical Name:
Carbamic acid, [3-(hydroxymethyl)phenyl]-, methyl ester
CAS Number:
81863-34-5
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD12777042
IUPAC Name:
methyl N-[3-(hydroxymethyl)phenyl]carbamate
InChI:
InChI=1S/C9H11NO3/c1-13-9(12)10-8-4-2-3-7(5-8)6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChI Key:
GKANKPAWPPLQOK-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cccc(c1)CO
Properties
Complexity:
172
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:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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