4,6-dihydroxybenzene-1,3-dicarboxylic acid

4,6-dihydroxybenzene-1,3-dicarboxylic acid

CAS: 19829-74-4

Formula: C8H6O6

SMILES: OC(=O)C1=CC(C(O)=O)=C(O)C=C1O

IUPAC: 4,6-dihydroxybenzene-1,3-dicarboxylic acid

InChI: InChI=1S/C8H6O6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/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	MZGVIIXFGJCRDR-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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95%	1 Day	19829-74-4		$27.22-$861.84$27.22$99.79$181.44$439.99$861.84