4-ethynylbenzaldehyde

4-ethynylbenzaldehyde

CAS: 63697-96-1

Formula: C9H6O

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

IUPAC: 4-ethynylbenzaldehyde

InChI: InChI=1S/C9H6O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-7H

Composition: C (83.06%), H (4.65%), O (12.29%)

Molar Mass: 130.146

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	130.041864813
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BGMHQBQFJYJLBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.81
Topological Polar Surface Area	17.07
Polarizability	14.8
Ring Count	1
Rotatable Bond Count	1

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