200,000+ products from a single source!
sales@angenechem.com
116253-86-2 | 3-Butenoic acid, 4-(benzoylamino)-2-oxo-, methyl ester
CAS No: 116253-86-2 Catalog No: AG000C25 MDL No:
Product Description
Catalog Number:
AG000C25
Chemical Name:
3-Butenoic acid, 4-(benzoylamino)-2-oxo-, methyl ester
CAS Number:
116253-86-2
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
methyl 4-benzamido-2-oxobut-3-enoate
InChI:
InChI=1S/C12H11NO4/c1-17-12(16)10(14)7-8-13-11(15)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,15)
InChI Key:
BGXWPQNOPNMZGH-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C=CNC(=O)c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.