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(1S,3R)-3-methylcyclohexane-1-carboxylic acid

(1S,3R)-3-methylcyclohexane-1-carboxylic acid

CAS: 1821742-33-9

Formula: C8H14O2

SMILES: C[C@@H]1CCC[C@@H](C1)C(O)=O

IUPAC: (1S,3R)-3-methylcyclohexane-1-carboxylic acid

InChI: InChI=1S/C8H14O2/c1-6-3-2-4-7(5-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m1/s1

Composition: C (67.57%), H (9.92%), O (22.50%)

Molar Mass: 142.198

Atom Count: 24

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 142.099379691
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CIFSKZDQGRCLBN-RQJHMYQMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.39
Topological Polar Surface Area 37.3
Polarizability 15.26
Ring Count 1
Rotatable Bond Count 1

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97% <2 Days 1821742-33-9 $243.80-$7,912.00$243.80$373.75$631.35$1,147.70$2,162.00$7,912.00
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