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19812-23-8 | 2,8,10-Pentadecatriene-4,6-diyne, (E,E,E)- (8CI,9CI)
CAS No: 19812-23-8 Catalog No: AG002BB6 MDL No:
Product Description
Catalog Number:
AG002BB6
Chemical Name:
2,8,10-Pentadecatriene-4,6-diyne, (E,E,E)- (8CI,9CI)
CAS Number:
19812-23-8
Molecular Formula:
C15H18
Molecular Weight:
198.3034
IUPAC Name:
pentadeca-2,8,10-trien-4,6-diyne
InChI:
InChI=1S/C15H18/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,5,10,12,14-15H,4,6,8H2,1-2H3
InChI Key:
BXCQMFBOESMZEZ-UHFFFAOYSA-N
SMILES:
CCCC/C=C/C=C/C#CC#C/C=C/C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.309g/mol
Monoisotopic Mass:
198.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
5.3
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