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Home > Nitro Compounds > 30879-49-3
30879-49-3 | Ethanone, 1-(5-hydroxy-2-nitrophenyl)-
CAS No: 30879-49-3 Catalog No: AG0031JA MDL No:MFCD12827423
Product Description
Catalog Number:
AG0031JA
Chemical Name:
Ethanone, 1-(5-hydroxy-2-nitrophenyl)-
CAS Number:
30879-49-3
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD12827423
IUPAC Name:
1-(5-hydroxy-2-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO4/c1-5(10)7-4-6(11)2-3-8(7)9(12)13/h2-4,11H,1H3
InChI Key:
PHQWMZYOGOPUIN-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(=O)C)[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:
0.9
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