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Home > Aldehydes > 1119450-74-6
1119450-74-6 | 3-(1,2,4-oxadiazol-3-yl)benzaldehyde
CAS No: 1119450-74-6 Catalog No: AG008VCC MDL No:MFCD12026815
Product Description
Catalog Number:
AG008VCC
Chemical Name:
3-(1,2,4-oxadiazol-3-yl)benzaldehyde
CAS Number:
1119450-74-6
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
MDL Number:
MFCD12026815
IUPAC Name:
3-(1,2,4-oxadiazol-3-yl)benzaldehyde
InChI:
InChI=1S/C9H6N2O2/c12-5-7-2-1-3-8(4-7)9-10-6-13-11-9/h1-6H
InChI Key:
UIIJMMDARKDYTH-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1nocn1
Properties
Complexity:
187
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:
1.3
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