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88498-00-4 | 3-Pentenoic acid, 2-amino-
CAS No: 88498-00-4 Catalog No: AG0049K8 MDL No:
Product Description
Catalog Number:
AG0049K8
Chemical Name:
3-Pentenoic acid, 2-amino-
CAS Number:
88498-00-4
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
IUPAC Name:
2-aminopent-3-enoic acid
InChI:
InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2-4H,6H2,1H3,(H,7,8)
InChI Key:
FIYHLHSVRBFCFH-UHFFFAOYSA-N
SMILES:
CC=CC(C(=O)O)N
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-2.3
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