8-methoxy-8-oxooctanoic acid

8-methoxy-8-oxooctanoic acid

CAS: 3946-32-5

Formula: C9H16O4

SMILES: COC(=O)CCCCCCC(O)=O

IUPAC: 8-methoxy-8-oxooctanoic acid

InChI: InChI=1S/C9H16O4/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3,(H,10,11)

Composition: C (57.43%), H (8.57%), O (34.00%)

Molar Mass: 188.223

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	188.104858995
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KOVPXZDUVJGGFU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.71
Topological Polar Surface Area	63.6
Polarizability	18.65
Ring Count	0
Rotatable Bond Count	8

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