Monomethyl pimelate

Compound Structure:

Synonyms:

7-Methoxy-7-oxoheptanoic acid; Monomethyl pimelate; Methyl hydrogen heptane-1,7-dioate; Heptanedioic acid, 1-methyl ester; Heptanedioic acid, monomethyl ester; 7-METHOXY-7-OXOHEPTANOICACID; Methyl hydrogen pimelate

Compound ID:

NMPC-1273

PubChem ID:

88467

Molecular Formula:

C8H14O4

Canonical SMILES:

COC(=O)CCCCCC(=O)O

InChIKey:

YOLQOHRXBGFZED-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	174.19 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	174.08920892 g/mol
Monoisotopic Mass	174.08920892 g/mol
Topological Polar Surface Area	63.6Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	153
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Strychnos innocua

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