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160354-69-8 | Carbamic acid, N-(2-formylphenyl)-, methyl ester
CAS No: 160354-69-8 Catalog No: AG001RVC MDL No:
Product Description
Catalog Number:
AG001RVC
Chemical Name:
Carbamic acid, N-(2-formylphenyl)-, methyl ester
CAS Number:
160354-69-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
methyl N-(2-formylphenyl)carbamate
InChI:
InChI=1S/C9H9NO3/c1-13-9(12)10-8-5-3-2-4-7(8)6-11/h2-6H,1H3,(H,10,12)
InChI Key:
UFCULUNWHFTHIQ-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1ccccc1C=O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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