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264226-03-1 | 3-Isoxazolecarboxylic acid, 5-(1H-pyrazol-3-yl)-, ethyl ester
CAS No: 264226-03-1 Catalog No: AG002T57 MDL No:
Product Description
Catalog Number:
AG002T57
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(1H-pyrazol-3-yl)-, ethyl ester
CAS Number:
264226-03-1
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
IUPAC Name:
ethyl 5-(1H-pyrazol-5-yl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C9H9N3O3/c1-2-14-9(13)7-5-8(15-12-7)6-3-4-10-11-6/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
ZFPNEWWDEBDKQB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(on1)c1cc[nH]n1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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