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Home > Nitro Compounds > 141771-81-5
141771-81-5 | 1-Propanone, 1-(4-hydroxy-3-methyl-5-nitrophenyl)-
CAS No: 141771-81-5 Catalog No: AG001H1H MDL No:
Product Description
Catalog Number:
AG001H1H
Chemical Name:
1-Propanone, 1-(4-hydroxy-3-methyl-5-nitrophenyl)-
CAS Number:
141771-81-5
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
1-(4-hydroxy-3-methyl-5-nitrophenyl)propan-1-one
InChI:
InChI=1S/C10H11NO4/c1-3-9(12)7-4-6(2)10(13)8(5-7)11(14)15/h4-5,13H,3H2,1-2H3
InChI Key:
XBFLBAXETHZNND-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(C)c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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