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Home > Nitro Compounds > 15727-80-7
15727-80-7 | Benzoic acid, 4-nitro-, 2-propen-1-yl ester
CAS No: 15727-80-7 Catalog No: AG001PCI MDL No:MFCD25458128
Product Description
Catalog Number:
AG001PCI
Chemical Name:
Benzoic acid, 4-nitro-, 2-propen-1-yl ester
CAS Number:
15727-80-7
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD25458128
IUPAC Name:
prop-2-enyl 4-nitrobenzoate
InChI:
InChI=1S/C10H9NO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h2-6H,1,7H2
InChI Key:
FNAOSVAQWXBRLK-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
251
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:
2.6
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