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Home > Nitro Compounds > 261527-26-8
261527-26-8 | 3-Pentanone, 1-hydroxy-4-methyl-1-(4-nitrophenyl)-
CAS No: 261527-26-8 Catalog No: AG002RVH MDL No:
Product Description
Catalog Number:
AG002RVH
Chemical Name:
3-Pentanone, 1-hydroxy-4-methyl-1-(4-nitrophenyl)-
CAS Number:
261527-26-8
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
1-hydroxy-4-methyl-1-(4-nitrophenyl)pentan-3-one
InChI:
InChI=1S/C12H15NO4/c1-8(2)11(14)7-12(15)9-3-5-10(6-4-9)13(16)17/h3-6,8,12,15H,7H2,1-2H3
InChI Key:
RLGZDAWALFCTMB-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)[N+](=O)[O-])CC(=O)C(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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