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115276-18-1 | 16,28-Dotriacontadiene-2,4,31-triyne-1,6,30-triol (9CI)
CAS No: 115276-18-1 Catalog No: AG000GJW MDL No:
Product Description
Catalog Number:
AG000GJW
Chemical Name:
16,28-Dotriacontadiene-2,4,31-triyne-1,6,30-triol (9CI)
CAS Number:
115276-18-1
Molecular Formula:
C32H50O3
Molecular Weight:
482.7376
IUPAC Name:
dotriaconta-16,28-dien-2,4,31-triyne-1,6,30-triol
InChI:
InChI=1S/C32H50O3/c1-2-31(34)27-23-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-24-28-32(35)29-25-22-26-30-33/h1,5,7,23,27,31-35H,3-4,6,8-21,24,28,30H2
InChI Key:
JZGLSELQORBWPZ-UHFFFAOYSA-N
SMILES:
OCC#CC#CC(CCCCCCCCCC=CCCCCCCCCCCC=CC(C#C)O)O
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.376g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
482.749g/mol
Monoisotopic Mass:
482.376g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
9.3
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