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3,4-dihydro-2H-1-benzopyran-6-ylboronic acid

3,4-dihydro-2H-1-benzopyran-6-ylboronic acid

CAS: 279261-84-6

Formula: C9H11BO3

SMILES: OB(O)C1=CC2=C(OCCC2)C=C1

IUPAC: (3,4-dihydro-2H-1-benzopyran-6-yl)boronic acid

InChI: InChI=1S/C9H11BO3/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,11-12H,1-2,5H2

Composition: C (60.73%), H (6.23%), B (6.07%), O (26.97%)

Molar Mass: 177.99

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 178.080124
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RIBOTMNSYSYOHG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.98
Topological Polar Surface Area 49.69
Polarizability 18.93
Ring Count 2
Rotatable Bond Count 1

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