Undecanedioic Acid

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CAS Number

1852-04-6

Synonyms

1,9-Nonanedicarboxylic Acid

Molecular Formula

C11H20O4

Molecular Weight

216.27

API Name

Undecanedioicacid

Chemical Information

Undecanedioic Acid

Undecanedioic acid is an alpha,-dicarboxylic acid that is nonane with two carboxylic acid groups at positions C-1 and C-9. It has a role as a metabolite. It is a conjugate acid of an undecanedioic acid anion.

CAS Number	1852-04-6
PubChem CID	15816
IUPAC Name	undecanedioic acid
Molecular Formula	C11H20O4
Molecular Weight	216.27
XLogP	2.7
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	15
Formal Charge	0
Complexity	169

SMILES

C(CCCCC(=O)O)CCCCC(=O)O

InChI

InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)

InChIKey

LWBHHRRTOZQPDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1852-04-6

CID: 15816

Formula: C11H20O4

MW: 216.27

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	216.27
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	216.13615911
Monoisotopic Mass	216.13615911
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	169
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

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Undecanedioic Acid

Chemical Information

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