7-methyl-6-oxooctanoic acid

7-methyl-6-oxooctanoic acid

Formula: C9H16O3

SMILES: CC(C)C(=O)CCCCC(O)=O

IUPAC: 7-methyl-6-oxooctanoic acid

InChI: InChI=1S/C9H16O3/c1-7(2)8(10)5-3-4-6-9(11)12/h7H,3-6H2,1-2H3,(H,11,12)

Composition: C (62.77%), H (9.36%), O (27.87%)

Molar Mass: 172.224

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	172.109944375
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OCTWQXZMIOXBML-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.49
Topological Polar Surface Area	54.37
Polarizability	17.92
Ring Count	0
Rotatable Bond Count	6

Suppliers

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H16O3		Quote Only