5-oxooxolane-2,3-dicarboxylic acid

5-oxooxolane-2,3-dicarboxylic acid

CAS: 4702-32-3

Formula: C6H6O6

SMILES: OC(=O)C1CC(=O)OC1C(O)=O

IUPAC: 5-oxooxolane-2,3-dicarboxylic acid

InChI: InChI=1/C6H6O6/c7-3-1-2(5(8)9)4(12-3)6(10)11/h2,4H,1H2,(H,8,9)(H,10,11)

Composition: C (41.39%), H (3.47%), O (55.13%)

Molar Mass: 174.108

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	174.016437913
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	UKZDIMBDWHZXOK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.22
Topological Polar Surface Area	100.9
Polarizability	13.28
Ring Count	1
Rotatable Bond Count	2

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