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Home > Nitro Compounds > 156098-55-4
156098-55-4 | Benzoic acid, 4-ethenyl-3-nitro-
CAS No: 156098-55-4 Catalog No: AG001OI3 MDL No:
Product Description
Catalog Number:
AG001OI3
Chemical Name:
Benzoic acid, 4-ethenyl-3-nitro-
CAS Number:
156098-55-4
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
4-ethenyl-3-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO4/c1-2-6-3-4-7(9(11)12)5-8(6)10(13)14/h2-5H,1H2,(H,11,12)
InChI Key:
WTKSNZKKULBDGF-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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