4-{[6-(propanoyloxy)hexyl]oxy}benzoic acid

4-{[6-(propanoyloxy)hexyl]oxy}benzoic acid

CAS: 477860-04-1

Formula: C16H22O5

SMILES: CCC(=O)OCCCCCCOC1=CC=C(C=C1)C(O)=O

IUPAC: 4-{[6-(propanoyloxy)hexyl]oxy}benzoic acid

InChI: InChI=1S/C16H22O5/c1-2-15(17)21-12-6-4-3-5-11-20-14-9-7-13(8-10-14)16(18)19/h7-10H,2-6,11-12H2,1H3,(H,18,19)

Composition: C (65.29%), H (7.53%), O (27.18%)

Molar Mass: 294.347

Atom Count: 43

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	294.146723808
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QJHPETSZJYUTGT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.56
Topological Polar Surface Area	72.83
Polarizability	30.69
Ring Count	1
Rotatable Bond Count	11

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