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4-({6-[(2-methylprop-2-enoyl)oxy]hexyl}oxy)benzoic acid

4-({6-[(2-methylprop-2-enoyl)oxy]hexyl}oxy)benzoic acid

CAS: 91652-00-5

Formula: C17H22O5

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

IUPAC: 4-({6-[(2-methylprop-2-enoyl)oxy]hexyl}oxy)benzoic acid

InChI: InChI=1S/C17H22O5/c1-13(2)17(20)22-12-6-4-3-5-11-21-15-9-7-14(8-10-15)16(18)19/h7-10H,1,3-6,11-12H2,2H3,(H,18,19)

Composition: C (66.65%), H (7.24%), O (26.11%)

Molar Mass: 306.358

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 306.146723808
Formal Charge 0
FSP3 0.41
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KAGIRXVDTGQWKF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.94
Topological Polar Surface Area 72.83
Polarizability 32.28
Ring Count 1
Rotatable Bond Count 11

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