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2,6-dihydroxybenzene-1,4-dicarboxylic acid

2,6-dihydroxybenzene-1,4-dicarboxylic acid

CAS: 69660-39-5

Formula: C8H6O6

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

IUPAC: 2,6-dihydroxybenzene-1,4-dicarboxylic acid

InChI: InChI=1S/C8H6O6/c9-4-1-3(7(11)12)2-5(10)6(4)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)

Composition: C (48.50%), H (3.05%), O (48.45%)

Molar Mass: 198.13

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.016437913
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey YNIWBQWSPPNHRN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.53
Topological Polar Surface Area 115.06
Polarizability 16.47
Ring Count 1
Rotatable Bond Count 2

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98% <5 Days 69660-39-5 $22.70-$75.66$22.70$75.66
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