CAS 1629-60-3 | 1-HEXEN-3-ONE | CAS Number 1629-60-3

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1629-60-3 | 1-HEXEN-3-ONE

CAS No: 1629-60-3 Catalog No: AG001TJ7 MDL No:MFCD00051563

Product Description

Catalog Number:

AG001TJ7

Chemical Name:

1-HEXEN-3-ONE

CAS Number:

1629-60-3

Molecular Formula:

C6H10O

Molecular Weight:

98.1430

MDL Number:

MFCD00051563

IUPAC Name:

hex-1-en-3-one

InChI:

InChI=1S/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3

InChI Key:

JTHNLKXLWOXOQK-UHFFFAOYSA-N

SMILES:

CCCC(=O)C=C

EC Number:

216-625-9

UNII:

QH9D98Z86N

Properties

Complexity:

74.2

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

98.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

98.145g/mol

Monoisotopic Mass:

98.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Effects of ultraviolet light and ultrasound on microbial quality and aroma-active components of milk.	Journal of the science of food and agriculture 20120401
Mammal pollinators lured by the scent of a parasitic plant.	Proceedings. Biological sciences 20110807
Aroma components of American country ham.	Journal of food science 20080101