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2,6-diethylbenzoic acid

2,6-diethylbenzoic acid

CAS: 78114-07-5

Formula: C11H14O2

SMILES: CCC1=CC=CC(CC)=C1C(O)=O

IUPAC: 2,6-diethylbenzoic acid

InChI: InChI=1S/C11H14O2/c1-3-8-6-5-7-9(4-2)10(8)11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)

Composition: C (74.13%), H (7.92%), O (17.95%)

Molar Mass: 178.231

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 178.099379691
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NIHOKFPCYMIIGM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.6
Topological Polar Surface Area 37.3
Polarizability 19.86
Ring Count 1
Rotatable Bond Count 3

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95% <7 Days 78114-07-5 $22.77-$120.06$22.77$39.33$120.06
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