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151098-14-5 | 1,2,4-Oxadiazole-3-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
CAS No: 151098-14-5 Catalog No: AG001N33 MDL No:MFCD10568207
Product Description
Catalog Number:
AG001N33
Chemical Name:
1,2,4-Oxadiazole-3-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
CAS Number:
151098-14-5
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
MDL Number:
MFCD10568207
IUPAC Name:
ethyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
InChI:
InChI=1S/C12H12N2O4/c1-3-17-12(15)10-13-11(18-14-10)8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3
InChI Key:
PZRYIROHFJDHJH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(n1)c1ccc(cc1)OC
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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