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12-PHENYLDODECANOIC ACID

CAS No.:
14507-27-8
Catalog Number:
AG00AB6F
Molecular Formula:
C18H28O2
Molecular Weight:
276.4137
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Product Description
Catalog Number:
AG00AB6F
Chemical Name:
12-PHENYLDODECANOIC ACID
CAS Number:
14507-27-8
Molecular Formula:
C18H28O2
Molecular Weight:
276.4137
MDL Number:
MFCD00582460
IUPAC Name:
12-phenyldodecanoic acid
InChI:
InChI=1S/C18H28O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20)
InChI Key:
IXEHFJJSVBVZHI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCc1ccccc1
NSC Number:
665969
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.209g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.42g/mol
Monoisotopic Mass:
276.209g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Characterization of novel methyl-branched chain fatty acids from a halophilic Bacillus species. Journal of natural products 20010201
In vitro antiviral activities of myristic acid analogs against human immunodeficiency and hepatitis B viruses. Antiviral research 19970501
Properties