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Home > Aldehydes > 164024-09-3
164024-09-3 | 1,3,4-Oxadiazole-2-carboxaldehyde, 5-methyl- (9CI)
CAS No: 164024-09-3 Catalog No: AG001ULJ MDL No:
Product Description
Catalog Number:
AG001ULJ
Chemical Name:
1,3,4-Oxadiazole-2-carboxaldehyde, 5-methyl- (9CI)
CAS Number:
164024-09-3
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
IUPAC Name:
5-methyl-1,3,4-oxadiazole-2-carbaldehyde
InChI:
InChI=1S/C4H4N2O2/c1-3-5-6-4(2-7)8-3/h2H,1H3
InChI Key:
YRJNUIQFTSGXGK-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)C=O
Properties
Complexity:
96
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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