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4-(5-propyl-1,3,4-oxadiazol-2-yl)benzaldehyde

4-(5-propyl-1,3,4-oxadiazol-2-yl)benzaldehyde

CAS: 1061671-93-9

Formula: C12H12N2O2

SMILES: CCCC1=NN=C(O1)C1=CC=C(C=O)C=C1

IUPAC: 4-(5-propyl-1,3,4-oxadiazol-2-yl)benzaldehyde

InChI: InChI=1S/C12H12N2O2/c1-2-3-11-13-14-12(16-11)10-6-4-9(8-15)5-7-10/h4-8H,2-3H2,1H3

Composition: C (66.65%), H (5.59%), N (12.96%), O (14.80%)

Molar Mass: 216.24

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 216.089877634
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey IWWDYPJUMXRUOE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.34
Topological Polar Surface Area 55.99
Polarizability 23.06
Ring Count 2
Rotatable Bond Count 4

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