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171259-81-7 | 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propanoic acid hydrobromide
CAS No: 171259-81-7 Catalog No: AG003CCO MDL No:
Product Description
Catalog Number:
AG003CCO
Chemical Name:
2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propanoic acid hydrobromide
CAS Number:
171259-81-7
Molecular Formula:
C7H11BrN2O4
Molecular Weight:
267.0772
IUPAC Name:
2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrobromide
InChI:
InChI=1S/C7H10N2O4.BrH/c1-3-4(6(10)9-13-3)2-5(8)7(11)12;/h5H,2,8H2,1H3,(H,9,10)(H,11,12);1H
InChI Key:
KUAHVIUZGLGASU-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1c(C)onc1O)N.Br
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
267.079g/mol
Monoisotopic Mass:
265.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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