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69619-20-1 | 2-Pentenoic acid,5-amino-, (E)- (9CI)
CAS No: 69619-20-1 Catalog No: AG005JYQ MDL No:
Product Description
Catalog Number:
AG005JYQ
Chemical Name:
2-Pentenoic acid,5-amino-, (E)- (9CI)
CAS Number:
69619-20-1
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
IUPAC Name:
(E)-5-aminopent-2-enoic acid
InChI:
InChI=1S/C5H9NO2/c6-4-2-1-3-5(7)8/h1,3H,2,4,6H2,(H,7,8)/b3-1+
InChI Key:
ZCMCFTFHSMPGKZ-HNQUOIGGSA-N
SMILES:
NCCC=CC(=O)O
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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