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4-UNDECANONE

CAS No.:
14476-37-0
Catalog Number:
AG001K4R
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
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Product Description
Catalog Number:
AG001K4R
Chemical Name:
4-UNDECANONE
CAS Number:
14476-37-0
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
MDL Number:
MFCD00048923
IUPAC Name:
undecan-4-one
InChI:
InChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h3-10H2,1-2H3
InChI Key:
NBSLHMOSERBUOV-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)CCC
EC Number:
238-474-8
NSC Number:
158509
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Chemical composition and antimicrobial activity of the inflorescence essential oil of Capillipedium parviflorum (R. Br.) Stapf. from India. Natural product research 20120101
Antimycobacterial Activities of Novel 5-(1H-1,2,3-Triazolyl)Methyl Oxazolidinones. Tuberculosis research and treatment 20120101
The effect of undecanones and their derivatives on tumor angiogenesis and VEGF content. Polish journal of veterinary sciences 20100101
Volatile constituents of Capillipedium parviflorum. Phytochemistry 20040701
Properties