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73217-75-1 | 3-PHENYL-1,2,4-OXADIAZOLE-5-CARBALDEHYDE
CAS No: 73217-75-1 Catalog No: AG005FPI MDL No:MFCD08059879
Product Description
Catalog Number:
AG005FPI
Chemical Name:
3-PHENYL-1,2,4-OXADIAZOLE-5-CARBALDEHYDE
CAS Number:
73217-75-1
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
MDL Number:
MFCD08059879
IUPAC Name:
3-phenyl-1,2,4-oxadiazole-5-carbaldehyde
InChI:
InChI=1S/C9H6N2O2/c12-6-8-10-9(11-13-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
OILKDGOSWNDPRG-UHFFFAOYSA-N
SMILES:
O=Cc1onc(n1)c1ccccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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