2,5-bis(4-butoxybenzoyloxy)benzoic acid

2,5-bis(4-butoxybenzoyloxy)benzoic acid

CAS: 205689-93-6

Formula: C29H30O8

SMILES: CCCCOC1=CC=C(C=C1)C(=O)OC1=CC=C(OC(=O)C2=CC=C(OCCCC)C=C2)C(=C1)C(O)=O

IUPAC: 2,5-bis(4-butoxybenzoyloxy)benzoic acid

InChI: InChI=1S/C29H30O8/c1-3-5-17-34-22-11-7-20(8-12-22)28(32)36-24-15-16-26(25(19-24)27(30)31)37-29(33)21-9-13-23(14-10-21)35-18-6-4-2/h7-16,19H,3-6,17-18H2,1-2H3,(H,30,31)

Composition: C (68.76%), H (5.97%), O (25.27%)

Molar Mass: 506.551

Atom Count: 67

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	506.194067926
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	HHVHDJBVEPJKGJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	137.59
Topological Polar Surface Area	108.36
Polarizability	53.06
Ring Count	3
Rotatable Bond Count	15

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