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Home > Nitro Compounds > 89684-58-2
89684-58-2 | 1-(2,4-Dihydroxy-3-nitrophenyl)ethanone
CAS No: 89684-58-2 Catalog No: AG0044HL MDL No:MFCD22573654
Product Description
Catalog Number:
AG0044HL
Chemical Name:
1-(2,4-Dihydroxy-3-nitrophenyl)ethanone
CAS Number:
89684-58-2
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD22573654
IUPAC Name:
1-(2,4-dihydroxy-3-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO5/c1-4(10)5-2-3-6(11)7(8(5)12)9(13)14/h2-3,11-12H,1H3
InChI Key:
UIRUEYNZXBZBDK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)ccc(c1O)C(=O)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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