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4-TRIDECANONE

CAS No.:
26215-90-7
Catalog Number:
AG002SAG
Molecular Formula:
C13H26O
Molecular Weight:
198.3449
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Product Description
Catalog Number:
AG002SAG
Chemical Name:
4-TRIDECANONE
CAS Number:
26215-90-7
Molecular Formula:
C13H26O
Molecular Weight:
198.3449
MDL Number:
MFCD00027351
IUPAC Name:
tridecan-4-one
InChI:
InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3
InChI Key:
JWSRUPAFLPWLNO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)CCC
EC Number:
247-519-0
NSC Number:
158500
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.198g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.35g/mol
Monoisotopic Mass:
198.198g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
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
Small molecule probes of the receptor binding site in the Vibrio cholerae CAI-1 quorum sensing circuit. Bioorganic & medicinal chemistry 20111115
The Vibrio cholerae quorum-sensing autoinducer CAI-1: analysis of the biosynthetic enzyme CqsA. Nature chemical biology 20091201
Properties