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Pimelic Acid

CAT: 1596-AR-M08131-02Size: 150Dry Ice: NoHazardous: No
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CAS Number
111-16-0
Synonyms
1,5-Pentanedicarboxylic Acid; 1,7-Heptanedioic Acid; NSC 30112; Pileric Acid; Heptanedioic acid; Adipic Acid Impurity C
Molecular Formula
C7H12O4
Molecular Weight
160.17
API Name
Adipic Acid

Chemical Information

Pimelic Acid

Pimelic acid is an alpha,-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5. It has a role as an Escherichia coli metabolite and a Daphnia magna metabolite. It is a dicarboxylic fatty acid and an alpha,omega-dicarboxylic acid. It is a conjugate acid of a pimelate and a pimelate(1-).

CAS Number111-16-0
PubChem CID385
IUPAC Nameheptanedioic acid
Molecular FormulaC7H12O4
Molecular Weight160.17
XLogP0.5
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity125
SMILES
C(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChIKey
WLJVNTCWHIRURA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pimelic Acid
CAS: 111-16-0
CID: 385
Formula: C7H12O4
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass160.07355886
Monoisotopic Mass160.07355886
Topological Polar Surface Area74.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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