(1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

(1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

CAS: 13429-83-9

Formula: C10H14O4

SMILES: CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(O)=O

IUPAC: (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

InChI: InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10-/m0/s1

Composition: C (60.59%), H (7.12%), O (32.29%)

Molar Mass: 198.218

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	198.089208931
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KPWKPGFLZGMMFX-ZJUUUORDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.92
Topological Polar Surface Area	63.6
Polarizability	19.06
Ring Count	2
Rotatable Bond Count	1

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