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146581-09-1 | 4-Pentenoic acid, 5-amino-2-oxo-
CAS No: 146581-09-1 Catalog No: AG001E5E MDL No:
Product Description
Catalog Number:
AG001E5E
Chemical Name:
4-Pentenoic acid, 5-amino-2-oxo-
CAS Number:
146581-09-1
Molecular Formula:
C5H7NO3
Molecular Weight:
129.1140
IUPAC Name:
5-amino-2-oxopent-4-enoic acid
InChI:
InChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h1,3H,2,6H2,(H,8,9)
InChI Key:
XXIWKCUBXDRZCO-UHFFFAOYSA-N
SMILES:
NC=CCC(=O)C(=O)O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
129.115g/mol
Monoisotopic Mass:
129.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.6
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