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6-formyl-2H-1,3-benzodioxol-5-ylboronic acid

6-formyl-2H-1,3-benzodioxol-5-ylboronic acid

CAS: 94838-88-7

Formula: C8H7BO5

SMILES: OB(O)C1=CC2=C(OCO2)C=C1C=O

IUPAC: (6-formyl-2H-1,3-benzodioxol-5-yl)boronic acid

InChI: InChI=1S/C8H7BO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3,11-12H,4H2

Composition: C (49.54%), H (3.64%), B (5.57%), O (41.25%)

Molar Mass: 193.95

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.038653
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey AKEPUIJBVDGLMX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.95
Topological Polar Surface Area 75.99
Polarizability 17.98
Ring Count 2
Rotatable Bond Count 2

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