Text Search
Structure Search

4-(dihydroxyboranyl)benzene-1,2-dicarboxylic acid

4-(dihydroxyboranyl)benzene-1,2-dicarboxylic acid

CAS: 1072946-35-0

Formula: C8H7BO6

SMILES: OB(O)C1=CC=C(C(O)=O)C(=C1)C(O)=O

IUPAC: 4-(dihydroxyboranyl)benzene-1,2-dicarboxylic acid

InChI: InChI=1S/C8H7BO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3,14-15H,(H,10,11)(H,12,13)

Composition: C (45.77%), H (3.36%), B (5.15%), O (45.72%)

Molar Mass: 209.95

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.033568
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey WBFFWDAYSKENSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.12
Topological Polar Surface Area 115.06
Polarizability 18.37
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1072946-35-0 $341.55-$2,202.25$341.55$626.75$2,202.25
Request Quote