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1-[(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid

1-[(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid

CAS: 29765-40-0

Formula: C12H14O2

SMILES: CC1=CC=CC=C1CC1(CC1)C(O)=O

IUPAC: 1-[(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid

InChI: InChI=1S/C12H14O2/c1-9-4-2-3-5-10(9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3,(H,13,14)

Composition: C (75.76%), H (7.42%), O (16.82%)

Molar Mass: 190.242

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 190.099379691
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AIKRTHLZCJHDIM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.28
Topological Polar Surface Area 37.3
Polarizability 21.08
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 29765-40-0 $485.07-$734.16$485.07$485.07$734.16$734.16
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