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Home > Nitro Compounds > 86208-78-8
86208-78-8 | 3-Pentanone, 4-nitro-1-phenyl-
CAS No: 86208-78-8 Catalog No: AG004SQH MDL No:
Product Description
Catalog Number:
AG004SQH
Chemical Name:
3-Pentanone, 4-nitro-1-phenyl-
CAS Number:
86208-78-8
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
4-nitro-1-phenylpentan-3-one
InChI:
InChI=1S/C11H13NO3/c1-9(12(14)15)11(13)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChI Key:
HBHWCQXTVJBSIW-UHFFFAOYSA-N
SMILES:
O=C(C([N+](=O)[O-])C)CCc1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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