5-methyl-2-propoxybenzoic acid

5-methyl-2-propoxybenzoic acid

Formula: C11H14O3

SMILES: CCCOC1=C(C=C(C)C=C1)C(O)=O

IUPAC: 5-methyl-2-propoxybenzoic acid

InChI: InChI=1S/C11H14O3/c1-3-6-14-10-5-4-8(2)7-9(10)11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)

Composition: C (68.02%), H (7.27%), O (24.71%)

Molar Mass: 194.23

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.094294311
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AGFPDQMSANRAMF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.09
Topological Polar Surface Area	46.53
Polarizability	20.62
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H14O3		Quote Only