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Home > Nitro Compounds > 264258-90-4
264258-90-4 | 4-Pentenoic acid, 1-(2-nitrophenyl)ethyl ester
CAS No: 264258-90-4 Catalog No: AG002T63 MDL No:
Product Description
Catalog Number:
AG002T63
Chemical Name:
4-Pentenoic acid, 1-(2-nitrophenyl)ethyl ester
CAS Number:
264258-90-4
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
1-(2-nitrophenyl)ethyl pent-4-enoate
InChI:
InChI=1S/C13H15NO4/c1-3-4-9-13(15)18-10(2)11-7-5-6-8-12(11)14(16)17/h3,5-8,10H,1,4,9H2,2H3
InChI Key:
HZPVGGVXRAMHEW-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)OC(c1ccccc1[N+](=O)[O-])C
Properties
Complexity:
311
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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