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264264-32-6 | Benzoic acid, 3-(5-methyl-1,2,4-oxadiazol-3-yl)-
CAS No: 264264-32-6 Catalog No: AG002T5X MDL No:MFCD06797485
Product Description
Catalog Number:
AG002T5X
Chemical Name:
Benzoic acid, 3-(5-methyl-1,2,4-oxadiazol-3-yl)-
CAS Number:
264264-32-6
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD06797485
IUPAC Name:
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
InChI:
InChI=1S/C10H8N2O3/c1-6-11-9(12-15-6)7-3-2-4-8(5-7)10(13)14/h2-5H,1H3,(H,13,14)
InChI Key:
CEBJCUYZEOLQSC-UHFFFAOYSA-N
SMILES:
Cc1onc(n1)c1cccc(c1)C(=O)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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