4-(3-hydroxyprop-1-yn-1-yl)benzaldehyde

4-(3-hydroxyprop-1-yn-1-yl)benzaldehyde

CAS: 80151-10-6

Formula: C10H8O2

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

IUPAC: 4-(3-hydroxyprop-1-yn-1-yl)benzaldehyde

InChI: InChI=1S/C10H8O2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h3-6,8,11H,7H2

Composition: C (74.99%), H (5.03%), O (19.98%)

Molar Mass: 160.172

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	160.052429498
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OVQZFRWRLDQPPW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.09
Topological Polar Surface Area	37.3
Polarizability	17.26
Ring Count	1
Rotatable Bond Count	3

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