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Nonamethylenedicarboxylic Acid

Nonamethylenedicarboxylic Acid

Name: Nonamethylenedicarboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C11H20O4

Molecular Weight:

216.27

CAS Number:

1852-04-6

Catalog Number:

1852-04-6

Product Information

Molecular Formula:

C11H20O4

Molecular Weight:

216.27

Description

Applications: Undecanedioic Acid is a bioactive compound found in Polygala tenuifolia root which is used as a functional food due to its attractive health benefits.

Synonyms

undecanedioicacid;UNDECANEDIOICACID;1852-04-6;1,9-Nonanedicarboxylicacid;1,11-Undecanedioicacid;Undecanedionicacid

IUPAC Name

undecanedioic acid

Canonical 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)

InChI Key

LWBHHRRTOZQPDM-UHFFFAOYSA-N

Boiling Point

400.1°C at 760 mmHg

Melting Point

108-110°C

Purity

95%

Density

1.084 g/cm3

Solubility

5.1 mg/mL

Appearance

white to yellowish flake

Storage

Store in a cool, dry place. Keep container closed when not in use.

Refractive Index

1.4421 (estimate)

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

216.13615911 g/mol

Monoisotopic Mass

216.13615911 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

169

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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Literatures

PMID	Publication Date	Title	Journal
21810210	2011-06-15	Environment sensing and response mediated by ABC transporters	BMC genomics
2018518	1991-04-15	Inhibition of HIV-1 proteinase by non-peptide carboxylates	Biochemical and biophysical research communications
1674	1976-02-12	Role of hyperkalemia in the metabolic acidosis of isolated hypoaldosteronism	The New England journal of medicine