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Suberic Acid

CAT: 1596-AR-M02609-03Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02609-03Size:250 Units
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CAS Number
505-48-6
Synonyms
1,6-Hexanedicarboxylic Acid
Molecular Formula
C8H14O4
Molecular Weight
174.19
API Name
Miscellaneous

Chemical Information

Suberic acid

Suberic acid is an alpha,-dicarboxylic acid that is the 1,6-dicarboxy derivative of hexane. It has a role as a human metabolite. It is a dicarboxylic fatty acid and an alpha,omega-dicarboxylic acid. It is a conjugate acid of a suberate and a suberate(2-).

CAS Number505-48-6
PubChem CID10457
IUPAC Nameoctanedioic acid
Molecular FormulaC8H14O4
Molecular Weight174.19
XLogP1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity135
SMILES
C(CCCC(=O)O)CCC(=O)O
InChI
InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKey
TYFQFVWCELRYAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Suberic acid
CAS: 505-48-6
CID: 10457
Formula: C8H14O4
MW: 174.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.19
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass174.08920892
Monoisotopic Mass174.08920892
Topological Polar Surface Area74.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity135
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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