200,000+ products from a single source!
sales@angenechem.com
89822-95-7 | Butanoic acid, 4-[(2-cyano-1-methylethenyl)amino]-2-methylene-4-oxo-
CAS No: 89822-95-7 Catalog No: AG003Z2U MDL No:
Product Description
Catalog Number:
AG003Z2U
Chemical Name:
Butanoic acid, 4-[(2-cyano-1-methylethenyl)amino]-2-methylene-4-oxo-
CAS Number:
89822-95-7
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
4-(1-cyanoprop-1-en-2-ylamino)-2-methylidene-4-oxobutanoic acid
InChI:
InChI=1S/C9H10N2O3/c1-6(9(13)14)5-8(12)11-7(2)3-4-10/h3H,1,5H2,2H3,(H,11,12)(H,13,14)
InChI Key:
WMXABIHFPYNWGQ-UHFFFAOYSA-N
SMILES:
CC(=CC#N)NC(=O)CC(=C)C(=O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.