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

(1S,4R)-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: (1S,4R)-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-/m1/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-VHSXEESVSA-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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Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 13429-83-9 $94.50$94.50
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