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Home > Nitro Compounds > 88818-16-0
88818-16-0 | Formic acid, nitroso-, phenylmethyl ester
CAS No: 88818-16-0 Catalog No: AG004AGY MDL No:
Product Description
Catalog Number:
AG004AGY
Chemical Name:
Formic acid, nitroso-, phenylmethyl ester
CAS Number:
88818-16-0
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
IUPAC Name:
benzyl N-oxocarbamate
InChI:
InChI=1S/C8H7NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
KXAJABNDLZOYRG-UHFFFAOYSA-N
SMILES:
O=NC(=O)OCc1ccccc1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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