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17338-03-3 | 2,4-Hexadiyne-1,6-diol, 1,6-diphenyl-
CAS No: 17338-03-3 Catalog No: AG001YUW MDL No:
Product Description
Catalog Number:
AG001YUW
Chemical Name:
2,4-Hexadiyne-1,6-diol, 1,6-diphenyl-
CAS Number:
17338-03-3
Molecular Formula:
C18H14O2
Molecular Weight:
262.3026
IUPAC Name:
6-phenoxyhexa-2,4-diynoxybenzene
InChI:
InChI=1S/C18H14O2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h3-8,11-14H,15-16H2
InChI Key:
ZBTRFBNXAKJTBI-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)C#CC#CC(c1ccccc1)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.308g/mol
Monoisotopic Mass:
262.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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