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Home > Nitro Compounds > 1574-86-3
1574-86-3 | 5-nitro-4-phenylpentan-2-one
CAS No: 1574-86-3 Catalog No: AG01A6WX MDL No:MFCD00450436
Product Description
Catalog Number:
AG01A6WX
Chemical Name:
5-nitro-4-phenylpentan-2-one
CAS Number:
1574-86-3
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00450436
IUPAC Name:
5-nitro-4-phenylpentan-2-one
InChI:
InChI=1S/C11H13NO3/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChI Key:
HDACXQXSTHNYRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1ccccc1)CC(=O)C
NSC Number:
218323
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:
1.4
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