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Home > Nitro Compounds > 96853-35-9
96853-35-9 | 1,3-Benzenediol, 4-(2-nitroethenyl)-
CAS No: 96853-35-9 Catalog No: AG01FG72 MDL No:
Product Description
Catalog Number:
AG01FG72
Chemical Name:
1,3-Benzenediol, 4-(2-nitroethenyl)-
CAS Number:
96853-35-9
IUPAC Name:
4-(2-nitroethenyl)benzene-1,3-diol
InChI:
InChI=1S/C8H7NO4/c10-7-2-1-6(8(11)5-7)3-4-9(12)13/h1-5,10-11H
InChI Key:
ROLLGPMWNMQJCX-UHFFFAOYSA-N
Properties
Complexity:
211
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:
2
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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