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137091-48-6

137091-48-6 | 11-Eicosen-14-ynoic acid

CAS No: 137091-48-6 Catalog No: AG0012U1 MDL No:

Product Description

Catalog Number:
AG0012U1
Chemical Name:
11-Eicosen-14-ynoic acid
CAS Number:
137091-48-6
Molecular Formula:
C20H34O2
Molecular Weight:
306.4828
IUPAC Name:
icos-11-en-14-ynoic acid
InChI:
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-5,8,11-19H2,1H3,(H,21,22)
InChI Key:
PFFRDNFAEYTWIG-UHFFFAOYSA-N
SMILES:
CCCCCC#CCC=CCCCCCCCCCC(=O)O

Properties

Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.256g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
306.49g/mol
Monoisotopic Mass:
306.256g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
7.4  

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