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Home > Nitro Compounds > 62847-52-3
62847-52-3 | 1-Propanone, 3-nitro-1-phenyl-
CAS No: 62847-52-3 Catalog No: AG00IB3H MDL No:
Product Description
Catalog Number:
AG00IB3H
Chemical Name:
1-Propanone, 3-nitro-1-phenyl-
CAS Number:
62847-52-3
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
3-nitro-1-phenylpropan-1-one
InChI:
InChI=1S/C9H9NO3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
PMBFWZPQKKUBSU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC[N+](=O)[O-]
Properties
Complexity:
192
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:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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