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Home > Nitro Compounds > 1017789-49-9
1017789-49-9 | 2-Propenoic acid, 4-(2,4-dinitrophenyl)butyl ester
CAS No: 1017789-49-9 Catalog No: AG0005K2 MDL No:
Product Description
Catalog Number:
AG0005K2
Chemical Name:
2-Propenoic acid, 4-(2,4-dinitrophenyl)butyl ester
CAS Number:
1017789-49-9
Molecular Formula:
C13H14N2O6
Molecular Weight:
294.2601
IUPAC Name:
4-(2,4-dinitrophenyl)butyl prop-2-enoate
InChI:
InChI=1S/C13H14N2O6/c1-2-13(16)21-8-4-3-5-10-6-7-11(14(17)18)9-12(10)15(19)20/h2,6-7,9H,1,3-5,8H2
InChI Key:
ZFJMQEZHIWVSOW-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCCCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.263g/mol
Monoisotopic Mass:
294.085g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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