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Home > Nitro Compounds > 28177-69-7
28177-69-7 | Ethanone, 1-(2-hydroxy-3-nitrophenyl)-
CAS No: 28177-69-7 Catalog No: AG00I5AL MDL No:MFCD02683784
Product Description
Catalog Number:
AG00I5AL
Chemical Name:
Ethanone, 1-(2-hydroxy-3-nitrophenyl)-
CAS Number:
28177-69-7
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD02683784
IUPAC Name:
1-(2-hydroxy-3-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO4/c1-5(10)6-3-2-4-7(8(6)11)9(12)13/h2-4,11H,1H3
InChI Key:
XQZGSPSZLMKODN-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1O)[N+](=O)[O-]
NSC Number:
111935
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:
1.6
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