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1375064-47-3 | 3-Isoxazolecarboxylic acid, 5-(2-thiazolyl)-, methyl ester
CAS No: 1375064-47-3 Catalog No: AG0013FB MDL No:MFCD22192338
Product Description
Catalog Number:
AG0013FB
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(2-thiazolyl)-, methyl ester
CAS Number:
1375064-47-3
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
MDL Number:
MFCD22192338
IUPAC Name:
methyl 5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C8H6N2O3S/c1-12-8(11)5-4-6(13-10-5)7-9-2-3-14-7/h2-4H,1H3
InChI Key:
OJDXFHLYVJEQMK-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1nccs1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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