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1191-85-1

1191-85-1 | 5,8,11,14-Eicosatetraynoic acid

CAS No: 1191-85-1 Catalog No: AG000I7F MDL No:MFCD00036967

Product Description

Catalog Number:
AG000I7F
Chemical Name:
5,8,11,14-Eicosatetraynoic acid
CAS Number:
1191-85-1
Molecular Formula:
C20H24O2
Molecular Weight:
296.4034
MDL Number:
MFCD00036967
IUPAC Name:
icosa-5,8,11,14-tetraynoic acid
InChI:
InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
InChI Key:
MGLDCXPLYOWQRP-UHFFFAOYSA-N
SMILES:
CCCCCC#CCC#CCC#CCC#CCCCC(=O)O

Properties

Complexity:
586  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.178g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.41g/mol
Monoisotopic Mass:
296.178g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

Literature

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