CAS 112-45-8 | 10-Undecenal | CAS Number 112-45-8

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112-45-8 | 10-Undecenal

CAS No: 112-45-8 Catalog No: AG003DUH MDL No:MFCD00007032

Product Description

Catalog Number:

AG003DUH

Chemical Name:

10-Undecenal

CAS Number:

112-45-8

Molecular Formula:

C11H20O

Molecular Weight:

168.2759

MDL Number:

MFCD00007032

IUPAC Name:

undec-10-enal

InChI:

InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2

InChI Key:

OFHHDSQXFXLTKC-UHFFFAOYSA-N

SMILES:

C=CCCCCCCCCC=O

EC Number:

203-973-1

UNII:

DU1OTA08RY

NSC Number:

44900

FEMA Number:

3095

Properties

Complexity:

108

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.151g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.28g/mol

Monoisotopic Mass:

168.151g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
2-undecanone rich leaf essential oil from Zanthoxylum armatum.	Natural product communications 20110101
Natural toxins for use in pest management.	Toxins 20100801
[Analysis of supercritical fluid extracts of Radix caulophylli with gas chromatography-mass spectrometry].	Yao xue xue bao = Acta pharmaceutica Sinica 20070501
Long-chain 3-acyl-4-hydroxycoumarins: structure and antibacterial activity.	Archiv der Pharmazie 20060301
Preparation and diastereomeric separation of an (S)- and (R)-1-(methoxycarbonyl)tridec-10-yl glucoside derivative, a precursor for a monosaccharide constituent of resin glycosides.	Carbohydrate research 20020605