1,4-dioxaspiro[4.5]dec-7-en-8-ylboronic acid

1,4-dioxaspiro[4.5]dec-7-en-8-ylboronic acid

CAS: 850567-90-7

Formula: C8H13BO4

SMILES: OB(O)C1=CCC2(CC1)OCCO2

IUPAC: {1,4-dioxaspiro[4.5]dec-7-en-8-yl}boronic acid

InChI: InChI=1S/C8H13BO4/c10-9(11)7-1-3-8(4-2-7)12-5-6-13-8/h1,10-11H,2-6H2

Composition: C (52.22%), H (7.12%), B (5.88%), O (34.78%)

Molar Mass: 184

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	184.090689
Formal Charge	0
FSP3	0.75
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WDXCZWJQOFPQOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.07
Topological Polar Surface Area	58.92
Polarizability	18.42
Ring Count	2
Rotatable Bond Count	1

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