oxane-4,4-dicarboxylic acid

oxane-4,4-dicarboxylic acid

CAS: 5337-04-2

Formula: C7H10O5

SMILES: OC(=O)C1(CCOCC1)C(O)=O

IUPAC: oxane-4,4-dicarboxylic acid

InChI: InChI=1S/C7H10O5/c8-5(9)7(6(10)11)1-3-12-4-2-7/h1-4H2,(H,8,9)(H,10,11)

Composition: C (48.28%), H (5.79%), O (45.93%)

Molar Mass: 174.152

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	174.052823422
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	LAHAPBJSVSVFGR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.61
Topological Polar Surface Area	83.83
Polarizability	14.86
Ring Count	1
Rotatable Bond Count	2

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