4-(4-hydroxybut-1-yn-1-yl)benzaldehyde

4-(4-hydroxybut-1-yn-1-yl)benzaldehyde

CAS: 544707-13-3

Formula: C11H10O2

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

IUPAC: 4-(4-hydroxybut-1-yn-1-yl)benzaldehyde

InChI: InChI=1S/C11H10O2/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h4-7,9,12H,2,8H2

Composition: C (75.84%), H (5.79%), O (18.37%)

Molar Mass: 174.199

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	174.068079562
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JNMGWHGSRGUHJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.84
Topological Polar Surface Area	37.3
Polarizability	19.1
Ring Count	1
Rotatable Bond Count	4

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