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159013-94-2 | 1,2,5-Oxadiazole-3-carboxylic acid, 4-amino-, methyl ester
CAS No: 159013-94-2 Catalog No: AG001QF9 MDL No:MFCD00465007
Product Description
Catalog Number:
AG001QF9
Chemical Name:
1,2,5-Oxadiazole-3-carboxylic acid, 4-amino-, methyl ester
CAS Number:
159013-94-2
Molecular Formula:
C4H5N3O3
Molecular Weight:
143.1008
MDL Number:
MFCD00465007
IUPAC Name:
methyl 4-amino-1,2,5-oxadiazole-3-carboxylate
InChI:
InChI=1S/C4H5N3O3/c1-9-4(8)2-3(5)7-10-6-2/h1H3,(H2,5,7)
InChI Key:
PNFAQDARRSPFKS-UHFFFAOYSA-N
SMILES:
COC(=O)c1nonc1N
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.102g/mol
Monoisotopic Mass:
143.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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