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Home > Nitro Compounds > 131061-15-9
131061-15-9 | 2-Propenoic acid, 3-(4-nitrophenyl)-, butyl ester, (2E)-
CAS No: 131061-15-9 Catalog No: AG000VGF MDL No:
Product Description
Catalog Number:
AG000VGF
Chemical Name:
2-Propenoic acid, 3-(4-nitrophenyl)-, butyl ester, (2E)-
CAS Number:
131061-15-9
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
butyl 3-(4-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C13H15NO4/c1-2-3-10-18-13(15)9-6-11-4-7-12(8-5-11)14(16)17/h4-9H,2-3,10H2,1H3
InChI Key:
DBBAKOSVOAEWCF-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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