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7-oxabicyclo[2.2.1]heptane-1-carboxylic acid

7-oxabicyclo[2.2.1]heptane-1-carboxylic acid

CAS: 1706450-79-4

Formula: C7H10O3

SMILES: OC(=O)C12CCC(CC1)O2

IUPAC: 7-oxabicyclo[2.2.1]heptane-1-carboxylic acid

InChI: InChI=1S/C7H10O3/c8-6(9)7-3-1-5(10-7)2-4-7/h5H,1-4H2,(H,8,9)

Composition: C (59.15%), H (7.09%), O (33.76%)

Molar Mass: 142.154

Atom Count: 20

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 142.062994182
Formal Charge 0
FSP3 0.86
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XUOHEKMIZPOOOI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.56
Topological Polar Surface Area 46.53
Polarizability 13.45
Ring Count 2
Rotatable Bond Count 1

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