Home Nitros 2-Propanone, 1-nitro-3-phenyl-

2-Propanone, 1-nitro-3-phenyl-

CAS No.:
85199-47-9
Catalog Number:
AG00IDKW
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG00IDKW
Chemical Name:
2-Propanone, 1-nitro-3-phenyl-
CAS Number:
85199-47-9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD06357938
IUPAC Name:
1-nitro-3-phenylpropan-2-one
InChI:
InChI=1S/C9H9NO3/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
OKYACOSASPGZBU-UHFFFAOYSA-N
SMILES:
O=C(C[N+](=O)[O-])Cc1ccccc1
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:
1.5  
Properties