CAS 105-43-1 | 3-Methylvaleric Acid | CAS Number 105-43-1

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105-43-1 | 3-Methylvaleric Acid

CAS No: 105-43-1 Catalog No: AG0034SN MDL No:MFCD00002729

Product Description

Catalog Number:

AG0034SN

Chemical Name:

3-Methylvaleric Acid

CAS Number:

105-43-1

Molecular Formula:

C6H12O2

Molecular Weight:

116.1583

MDL Number:

MFCD00002729

IUPAC Name:

3-methylpentanoic acid

InChI:

InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChI Key:

IGIDLTISMCAULB-UHFFFAOYSA-N

SMILES:

CC(CC)CC(=O)O

EC Number:

203-297-7

FEMA Number:

3437

Properties

Complexity:

78.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

116.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

116.16g/mol

Monoisotopic Mass:

116.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Olfactory sensitivity and odor structure-activity relationships for aliphatic carboxylic acids in CD-1 mice.	PloS one 20120101
Polydimethylsiloxane-based permeation passive air sampler. Part II: Effect of temperature and humidity on the calibration constants.	Journal of chromatography. A 20101210
Deorphanization of Dresden G protein-coupled receptor for an odorant receptor.	Journal of receptor and signal transduction research 20070101
Solid-phase microextraction method for carbon isotopic analysis of volatile carboxylic acids in human plasma by gas chromatography/combustion/isotope ratio mass spectrometry.	Rapid communications in mass spectrometry : RCM 20060101
Identification of potent odorants in different cultivars of snake fruit [Salacca zalacca (Gaert.) Voss] using gas chromatography-olfactometry.	Journal of agricultural and food chemistry 20050309
Anaerobic degradability of alcohol ethoxylates and related non-ionic surfactants.	Biodegradation 20041001