4-methylcyclohex-1-en-1-ylboronic acid

4-methylcyclohex-1-en-1-ylboronic acid

CAS: 850567-92-9

Formula: C7H13BO2

SMILES: CC1CCC(=CC1)B(O)O

IUPAC: (4-methylcyclohex-1-en-1-yl)boronic acid

InChI: InChI=1/C7H13BO2/c1-6-2-4-7(5-3-6)8(9)10/h4,6,9-10H,2-3,5H2,1H3

Composition: C (60.06%), H (9.36%), B (7.72%), O (22.86%)

Molar Mass: 139.99

Atom Count: 23

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	140.10086
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	SJZMIZIVYIOMIW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.73
Topological Polar Surface Area	40.46
Polarizability	15.88
Ring Count	1
Rotatable Bond Count	1

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