200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 76842-84-7
76842-84-7 | 4-Pentenoic acid, 5-(4-nitrophenyl)-3-oxo-, ethyl ester, (E)-
CAS No: 76842-84-7 Catalog No: AG00588A MDL No:
Product Description
Catalog Number:
AG00588A
Chemical Name:
4-Pentenoic acid, 5-(4-nitrophenyl)-3-oxo-, ethyl ester, (E)-
CAS Number:
76842-84-7
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
IUPAC Name:
ethyl 5-(4-nitrophenyl)-3-oxopent-4-enoate
InChI:
InChI=1S/C13H13NO5/c1-2-19-13(16)9-12(15)8-5-10-3-6-11(7-4-10)14(17)18/h3-8H,2,9H2,1H3
InChI Key:
PPNKPLRWTPTNEK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.