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Home > Aldehydes > 879896-54-5
879896-54-5 | Benzaldehyde,2-(3-methyl-1,2,4-oxadiazol-5-yl)-
CAS No: 879896-54-5 Catalog No: AG004HR7 MDL No:MFCD09702359
Product Description
Catalog Number:
AG004HR7
Chemical Name:
Benzaldehyde,2-(3-methyl-1,2,4-oxadiazol-5-yl)-
CAS Number:
879896-54-5
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD09702359
IUPAC Name:
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
InChI:
InChI=1S/C10H8N2O2/c1-7-11-10(14-12-7)9-5-3-2-4-8(9)6-13/h2-6H,1H3
InChI Key:
FPQLUUWDLSUKNS-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1onc(n1)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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