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3-methylbicyclo[1.1.1]pentane-1-carboxylic acid

3-methylbicyclo[1.1.1]pentane-1-carboxylic acid

CAS: 65862-01-3

Formula: C7H10O2

SMILES: CC12CC(C1)(C2)C(O)=O

IUPAC: 3-methylbicyclo[1.1.1]pentane-1-carboxylic acid

InChI: InChI=1S/C7H10O2/c1-6-2-7(3-6,4-6)5(8)9/h2-4H2,1H3,(H,8,9)

Composition: C (66.65%), H (7.99%), O (25.36%)

Molar Mass: 126.155

Atom Count: 19

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 126.068079562
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey TUFJVYRDYWRNOL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.77
Topological Polar Surface Area 37.3
Polarizability 12.71
Ring Count 2
Rotatable Bond Count 1

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