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oxane-3-carboxylic acid

oxane-3-carboxylic acid

CAS: 873397-34-3

Formula: C6H10O3

SMILES: OC(=O)C1CCCOC1

IUPAC: oxane-3-carboxylic acid

InChI: InChI=1/C6H10O3/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)

Composition: C (55.37%), H (7.75%), O (36.88%)

Molar Mass: 130.143

Atom Count: 19

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 130.062994182
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YEWPVCUHKJABMV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.24
Topological Polar Surface Area 46.53
Polarizability 12.34
Ring Count 1
Rotatable Bond Count 1

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