CAS 713-95-1 | 6-Heptyltetrahydro-2H-pyran-2-one | CAS Number 713-95-1

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713-95-1 | 6-Heptyltetrahydro-2H-pyran-2-one

CAS No: 713-95-1 Catalog No: AG003VGJ MDL No:MFCD00006651

Product Description

Catalog Number:

AG003VGJ

Chemical Name:

6-Heptyltetrahydro-2H-pyran-2-one

CAS Number:

713-95-1

Molecular Formula:

C12H22O2

Molecular Weight:

198.3019

MDL Number:

MFCD00006651

IUPAC Name:

6-heptyloxan-2-one

InChI:

InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3

InChI Key:

QRPLZGZHJABGRS-UHFFFAOYSA-N

SMILES:

CCCCCCCC1CCCC(=O)O1

EC Number:

211-932-4

FEMA Number:

2401

Properties

Complexity:

166

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.306g/mol

Monoisotopic Mass:

198.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Changes in volatile compound composition of Antrodia camphorata during solid state fermentation.	Journal of the science of food and agriculture 20111001
Promotive effects of hyperthermia on the cytostatic activity to Ehrlich ascites tumor cells by diverse delta-alkyllactones.	Experimental oncology 20080601
Analysis of volatile compounds in beef fat by dynamic-headspace solid-phase microextraction combined with gas chromatography-mass spectrometry.	Journal of food science 20080601
Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream.	Journal of agricultural and food chemistry 20071114
Senescence marker protein-30 is a unique enzyme that hydrolyzes diisopropyl phosphorofluoridate in the liver.	FEBS letters 20040716