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100959-34-0 | 5-Isoxazolealanine,3-methyl-(6CI)
CAS No: 100959-34-0 Catalog No: AG0091Z3 MDL No:
Product Description
Catalog Number:
AG0091Z3
Chemical Name:
5-Isoxazolealanine,3-methyl-(6CI)
CAS Number:
100959-34-0
IUPAC Name:
(2S)-2-amino-3-(3-methyl-1,2-oxazol-5-yl)propanoic acid
InChI:
InChI=1S/C7H10N2O3/c1-4-2-5(12-9-4)3-6(8)7(10)11/h2,6H,3,8H2,1H3,(H,10,11)/t6-/m0/s1
InChI Key:
ZVQYDFQJRNUCEW-LURJTMIESA-N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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