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Home > Nitro Compounds > 13662-96-9
13662-96-9 | 1,2-Benzenediol, 4-(2-nitro-1-propen-1-yl)-
CAS No: 13662-96-9 Catalog No: AG00125H MDL No:
Product Description
Catalog Number:
AG00125H
Chemical Name:
1,2-Benzenediol, 4-(2-nitro-1-propen-1-yl)-
CAS Number:
13662-96-9
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
4-(2-nitroprop-1-enyl)benzene-1,2-diol
InChI:
InChI=1S/C9H9NO4/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-5,11-12H,1H3
InChI Key:
CBBBJLQAIWVLBM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=Cc1ccc(c(c1)O)O)C
Properties
Complexity:
246
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:
2
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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