3-(2-phenylethynyl)benzaldehyde

3-(2-phenylethynyl)benzaldehyde

CAS: 115021-39-1

Formula: C15H10O

SMILES: O=CC1=CC(=CC=C1)C#CC1=CC=CC=C1

IUPAC: 3-(2-phenylethynyl)benzaldehyde

InChI: InChI=1S/C15H10O/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11-12H

Composition: C (87.36%), H (4.89%), O (7.76%)

Molar Mass: 206.244

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	206.073164942
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RRMQKWJANJYKFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.48
Topological Polar Surface Area	17.07
Polarizability	24.43
Ring Count	2
Rotatable Bond Count	3

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