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1166756-86-0 | Benzoic acid, 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-, methyl ester
CAS No: 1166756-86-0 Catalog No: AG000CYT MDL No:MFCD12198880
Product Description
Catalog Number:
AG000CYT
Chemical Name:
Benzoic acid, 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-, methyl ester
CAS Number:
1166756-86-0
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD12198880
IUPAC Name:
methyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
InChI:
InChI=1S/C13H12N2O3/c1-17-13(16)10-6-2-8(3-7-10)11-14-12(18-15-11)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3
InChI Key:
OGWVZWUDZHFDFL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1noc(n1)C1CC1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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