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cyclohept-1-en-1-ylboronic acid

cyclohept-1-en-1-ylboronic acid

CAS: 835882-35-4

Formula: C7H13BO2

SMILES: OB(O)C1=CCCCCC1

IUPAC: (cyclohept-1-en-1-yl)boronic acid

InChI: InChI=1S/C7H13BO2/c9-8(10)7-5-3-1-2-4-6-7/h5,9-10H,1-4,6H2

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 0
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 MMOVERLKAAQVGD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.78
Topological Polar Surface Area 40.46
Polarizability 15.88
Ring Count 1
Rotatable Bond Count 1

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