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2-propylbenzoic acid

2-propylbenzoic acid

CAS: 2438-03-1

Formula: C10H12O2

SMILES: CCCC1=C(C=CC=C1)C(O)=O

IUPAC: 2-propylbenzoic acid

InChI: InChI=1S/C10H12O2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7H,2,5H2,1H3,(H,11,12)

Composition: C (73.15%), H (7.37%), O (19.49%)

Molar Mass: 164.204

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 164.083729626
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GADSJKKDLMALGL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.56
Topological Polar Surface Area 37.3
Polarizability 18.1
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 2438-03-1 $720.00-$1,000.00$720.00$1,000.00
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