4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylic acid

4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylic acid

CAS: 6703-31-7

Formula: C11H16O3

SMILES: CC1(C)C2(C)CCC1(CC2=O)C(O)=O

IUPAC: 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylic acid

InChI: InChI=1/C11H16O3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12/h4-6H2,1-3H3,(H,13,14)

Composition: C (67.32%), H (8.22%), O (24.46%)

Molar Mass: 196.246

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	196.109944375
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RKFCLVFAFZYVCG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.68
Topological Polar Surface Area	54.37
Polarizability	20.15
Ring Count	2
Rotatable Bond Count	1

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