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Home > Nitro Compounds > 89877-53-2
89877-53-2 | Ethanone, 1-(3-hydroxy-2-methyl-4-nitrophenyl)-
CAS No: 89877-53-2 Catalog No: AG00H8DP MDL No:
Product Description
Catalog Number:
AG00H8DP
Chemical Name:
Ethanone, 1-(3-hydroxy-2-methyl-4-nitrophenyl)-
CAS Number:
89877-53-2
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
1-(3-hydroxy-2-methyl-4-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO4/c1-5-7(6(2)11)3-4-8(9(5)12)10(13)14/h3-4,12H,1-2H3
InChI Key:
XBBQBDCDJMJHGU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1C)O)[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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