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89016-91-1 | 7,10,13-Nonadecatrien-4-yne-1-sulfonic acid, (Z,Z,Z)-
CAS No: 89016-91-1 Catalog No: AG0044DN MDL No:
Product Description
Catalog Number:
AG0044DN
Chemical Name:
7,10,13-Nonadecatrien-4-yne-1-sulfonic acid, (Z,Z,Z)-
CAS Number:
89016-91-1
Molecular Formula:
C19H30O3S
Molecular Weight:
338.5047
IUPAC Name:
nonadeca-7,10,13-trien-4-yne-1-sulfonic acid
InChI:
InChI=1S/C19H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22/h6-7,9-10,12-13H,2-5,8,11,14,17-19H2,1H3,(H,20,21,22)
InChI Key:
SAAYDEYVAXZPAQ-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C/C=C\C/C=C\CC#CCCCS(=O)(=O)O
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.192g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.506g/mol
Monoisotopic Mass:
338.192g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
5.4
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