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Home > Nitro Compounds > 189683-06-5
189683-06-5 | 1,2-Benzenediol, 4-nitro-3-(2-propen-1-yl)-
CAS No: 189683-06-5 Catalog No: AG002DVP MDL No:
Product Description
Catalog Number:
AG002DVP
Chemical Name:
1,2-Benzenediol, 4-nitro-3-(2-propen-1-yl)-
CAS Number:
189683-06-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
4-nitro-3-prop-2-enylbenzene-1,2-diol
InChI:
InChI=1S/C9H9NO4/c1-2-3-6-7(10(13)14)4-5-8(11)9(6)12/h2,4-5,11-12H,1,3H2
InChI Key:
IUGBJPUICZATIE-UHFFFAOYSA-N
SMILES:
C=CCc1c(ccc(c1O)O)[N+](=O)[O-]
Properties
Complexity:
225
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:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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