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Home > Aldehydes > 135733-35-6
135733-35-6 | 1,2,5-Oxadiazole-3-carboxaldehyde, 4-phenyl-, 5-oxide
CAS No: 135733-35-6 Catalog No: AG0072HL MDL No:
Product Description
Catalog Number:
AG0072HL
Chemical Name:
1,2,5-Oxadiazole-3-carboxaldehyde, 4-phenyl-, 5-oxide
CAS Number:
135733-35-6
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
IUPAC Name:
5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carbaldehyde
InChI:
InChI=1S/C9H6N2O3/c12-6-8-9(11(13)14-10-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
DLXWGLICLICZTB-UHFFFAOYSA-N
SMILES:
O=Cc1no[n+](c1c1ccccc1)[O-]
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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