200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 139445-59-3
139445-59-3 | 4-Pentenoic acid, 5-(2-nitrophenyl)-3-oxo-, methyl ester, (E)- (9CI)
CAS No: 139445-59-3 Catalog No: AG001B0Z MDL No:
Product Description
Catalog Number:
AG001B0Z
Chemical Name:
4-Pentenoic acid, 5-(2-nitrophenyl)-3-oxo-, methyl ester, (E)- (9CI)
CAS Number:
139445-59-3
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
IUPAC Name:
methyl 5-(2-nitrophenyl)-3-oxopent-4-enoate
InChI:
InChI=1S/C12H11NO5/c1-18-12(15)8-10(14)7-6-9-4-2-3-5-11(9)13(16)17/h2-7H,8H2,1H3
InChI Key:
CJBFCOOECPQZDM-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)/C=C/c1ccccc1[N+](=O)[O-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.