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127607-88-9 | 4-Isoxazolepropanoic acid, α-amino-2,5-dihydro-5-oxo-, (αS)-
CAS No: 127607-88-9 Catalog No: AG000X8F MDL No:
Product Description
Catalog Number:
AG000X8F
Chemical Name:
4-Isoxazolepropanoic acid, α-amino-2,5-dihydro-5-oxo-, (αS)-
CAS Number:
127607-88-9
Molecular Formula:
C6H8N2O4
Molecular Weight:
172.1387
IUPAC Name:
amino 3-(5-oxo-2H-1,2-oxazol-4-yl)propanoate
InChI:
InChI=1S/C6H8N2O4/c7-11-5(9)2-1-4-3-8-12-6(4)10/h3,8H,1-2,7H2
InChI Key:
JPZLPLPESYKICS-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]oc1=O)N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.14g/mol
Monoisotopic Mass:
172.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Enzymatic synthesis of two isoxazolylalanine isomers by cysteine synthases in Lathyrus species. | Biological & pharmaceutical bulletin 19960901 |
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