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Home > Nitro Compounds > 1834-91-9
1834-91-9 | Ethanone, 1-(2-hydroxy-4-nitrophenyl)-
CAS No: 1834-91-9 Catalog No: AG0027KF MDL No:
Product Description
Catalog Number:
AG0027KF
Chemical Name:
Ethanone, 1-(2-hydroxy-4-nitrophenyl)-
CAS Number:
1834-91-9
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
IUPAC Name:
1-(2-hydroxy-4-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO4/c1-5(10)7-3-2-6(9(12)13)4-8(7)11/h2-4,11H,1H3
InChI Key:
MBWXEEAWDJCUKX-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1O)[N+](=O)[O-]
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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