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4-methylbicyclo[2.2.2]octane-1-carboxylic acid

4-methylbicyclo[2.2.2]octane-1-carboxylic acid

CAS: 702-67-0

Formula: C10H16O2

SMILES: CC12CCC(CC1)(CC2)C(O)=O

IUPAC: 4-methylbicyclo[2.2.2]octane-1-carboxylic acid

InChI: InChI=1S/C10H16O2/c1-9-2-5-10(6-3-9,7-4-9)8(11)12/h2-7H2,1H3,(H,11,12)

Composition: C (71.39%), H (9.59%), O (19.02%)

Molar Mass: 168.236

Atom Count: 28

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 168.115029755
Formal Charge 0
FSP3 0.9
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VAIOYMYTWWCODC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.57
Topological Polar Surface Area 37.3
Polarizability 18.21
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 702-67-0 $417.01-$1,267.86$417.01$653.57$906.02$1,267.86
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 702-67-0 $409.83-$5,065.44$409.83$675.90$1,127.33$1,688.48$5,065.44
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