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872983-39-6 | 4-Pentenoic acid, 2-amino-2-(2-hydroxyethyl)-4-methyl-
CAS No: 872983-39-6 Catalog No: AG004HYA MDL No:
Product Description
Catalog Number:
AG004HYA
Chemical Name:
4-Pentenoic acid, 2-amino-2-(2-hydroxyethyl)-4-methyl-
CAS Number:
872983-39-6
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
2-amino-2-(2-hydroxyethyl)-4-methylpent-4-enoic acid
InChI:
InChI=1S/C8H15NO3/c1-6(2)5-8(9,3-4-10)7(11)12/h10H,1,3-5,9H2,2H3,(H,11,12)
InChI Key:
CXESYRCSTPIPNZ-UHFFFAOYSA-N
SMILES:
OCCC(C(=O)O)(CC(=C)C)N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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