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273727-50-7 | 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
CAS No: 273727-50-7 Catalog No: AG00BJPN MDL No:MFCD09817468
Product Description
Catalog Number:
AG00BJPN
Chemical Name:
3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
CAS Number:
273727-50-7
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD09817468
IUPAC Name:
3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
InChI:
InChI=1S/C10H8N2O2/c1-7-11-10(14-12-7)9-4-2-3-8(5-9)6-13/h2-6H,1H3
InChI Key:
YUNJEYQSCYYAEF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1onc(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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