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203586-95-2 | 5-Isoxazolecarboxylic acid, 3-amino-, methyl ester
CAS No: 203586-95-2 Catalog No: AG0028ZX MDL No:
Product Description
Catalog Number:
AG0028ZX
Chemical Name:
5-Isoxazolecarboxylic acid, 3-amino-, methyl ester
CAS Number:
203586-95-2
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
IUPAC Name:
methyl 3-amino-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C5H6N2O3/c1-9-5(8)3-2-4(6)7-10-3/h2H,1H3,(H2,6,7)
InChI Key:
RCIUWQLRYRGHJE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(no1)N
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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