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Product No: DY6998

12-Methoxy-12-oxododecanoic acid(Dodecanedioic Acid Monomethyl Ester), 97%

Name: 12-Methoxy-12-oxododecanoic acid(Dodecanedioic Acid Monomethyl Ester)
Brand: Chempure

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CAS Number

3903-40-0

Molecular Weight

244.33

Formula

C13H24O4

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About this item

IUPAC name	12-methoxy-12-oxododecanoic acid
canonical smiles	COC(=O)CCCCCCCCCCC(=O)O
inchi	InChI=1S/C13H24O4/c1-17-13(16)11-9-7-5-3-2-4-6-8-10-12(14)15/h2-11H2,1H3,(H,14,15)
inchi key	REGGDLIBDASKGE-UHFFFAOYSA-N
molecular formula	C13H24O4
synonyms	3903-40-0 12-methoxy-12-oxododecanoic acid Dodecanedioic acid monomethyl ester Dodecanedioic Acid 1-Methyl Ester MFCD00053323

Computed Properties

Molecular Weight:	244.33 g/mol
XLogP3:	3.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	12
Exact Mass:	244.16745924 g/mol
Monoisotopic Mass:	244.16745924 g/mol
Topological Polar Surface Area:	63.6 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	214
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

Related Compounds

Capric Acid

Lauric Acid

Octanoic Acid

Nonanoic acid

Sebacic Acid

Azelaic Acid

Myristic Acid

Tridecanoic acid

Undecanoic acid

Dodecanedioic acid

Pentadecanoic acid

Hexadecanedioic acid

Tetradecanedioic acid

Tridecanedioic acid

Dimethyl sebacate

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: DY6998

12-Methoxy-12-oxododecanoic acid(Dodecanedioic Acid Monomethyl Ester), 97%

Product No: DY6998

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: DY6998

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?