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Home > Nitro Compounds > 15582-94-2
15582-94-2 | 2-Butanone, 3-methyl-3-(4-nitrophenyl)-
CAS No: 15582-94-2 Catalog No: AG001O95 MDL No:
Product Description
Catalog Number:
AG001O95
Chemical Name:
2-Butanone, 3-methyl-3-(4-nitrophenyl)-
CAS Number:
15582-94-2
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
3-methyl-3-(4-nitrophenyl)butan-2-one
InChI:
InChI=1S/C11H13NO3/c1-8(13)11(2,3)9-4-6-10(7-5-9)12(14)15/h4-7H,1-3H3
InChI Key:
YVUJOZKEYOULOV-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
260
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:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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