4-(heptyloxy)benzoic acid

4-(heptyloxy)benzoic acid

CAS: 15872-42-1

Formula: C14H20O3

SMILES: CCCCCCCOC1=CC=C(C=C1)C(O)=O

IUPAC: 4-(heptyloxy)benzoic acid

InChI: InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)

Composition: C (71.16%), H (8.53%), O (20.31%)

Molar Mass: 236.311

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.141244504
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZRVIYEJYXIDATJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.45
Topological Polar Surface Area	46.53
Polarizability	26.22
Ring Count	1
Rotatable Bond Count	8

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