2-(cyclohexyloxy)-4-(dihydroxyboranyl)benzoic acid

2-(cyclohexyloxy)-4-(dihydroxyboranyl)benzoic acid

CAS: 1045780-95-7

Formula: C13H17BO5

SMILES: OB(O)C1=CC(OC2CCCCC2)=C(C=C1)C(O)=O

IUPAC: 2-(cyclohexyloxy)-4-(dihydroxyboranyl)benzoic acid

InChI: InChI=1S/C13H17BO5/c15-13(16)11-7-6-9(14(17)18)8-12(11)19-10-4-2-1-3-5-10/h6-8,10,17-18H,1-5H2,(H,15,16)

Composition: C (59.13%), H (6.49%), B (4.09%), O (30.29%)

Molar Mass: 264.08

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.116904
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	WNMWAZOKBFAFSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.34
Topological Polar Surface Area	86.99
Polarizability	26.89
Ring Count	2
Rotatable Bond Count	4

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