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Home > Nitro Compounds > 779-80-6
779-80-6 | Benzoic acid, 3-nitro-, 2-propenyl ester
CAS No: 779-80-6 Catalog No: AG0055J8 MDL No:
Product Description
Catalog Number:
AG0055J8
Chemical Name:
Benzoic acid, 3-nitro-, 2-propenyl ester
CAS Number:
779-80-6
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
prop-2-enyl 3-nitrobenzoate
InChI:
InChI=1S/C10H9NO4/c1-2-6-15-10(12)8-4-3-5-9(7-8)11(13)14/h2-5,7H,1,6H2
InChI Key:
ODSNCZIFTQVJLF-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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