200,000+ products from a single source!
sales@angenechem.com
21112-45-8 | 2-Butenoic acid, 3-amino-
CAS No: 21112-45-8 Catalog No: AG002L7B MDL No:
Product Description
Catalog Number:
AG002L7B
Chemical Name:
2-Butenoic acid, 3-amino-
CAS Number:
21112-45-8
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
IUPAC Name:
3-aminobut-2-enoic acid
InChI:
InChI=1S/C4H7NO2/c1-3(5)2-4(6)7/h2H,5H2,1H3,(H,6,7)
InChI Key:
UKVYVZLTGQVOPX-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)O)N
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
101.105g/mol
Monoisotopic Mass:
101.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.