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Home > Nitro Compounds > 831-69-6
831-69-6 | Benzoic acid, 4-nitro-, ethenyl ester
CAS No: 831-69-6 Catalog No: AG004VP3 MDL No:
Product Description
Catalog Number:
AG004VP3
Chemical Name:
Benzoic acid, 4-nitro-, ethenyl ester
CAS Number:
831-69-6
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
ethenyl 4-nitrobenzoate
InChI:
InChI=1S/C9H7NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h2-6H,1H2
InChI Key:
ONWCAHIXZOZKJT-UHFFFAOYSA-N
SMILES:
C=COC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
238
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:
0
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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