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16900-79-1 | 3,5-Hexadiyn-2-ol, 2-methyl-6-phenyl-
CAS No: 16900-79-1 Catalog No: AG001YFJ MDL No:
Product Description
Catalog Number:
AG001YFJ
Chemical Name:
3,5-Hexadiyn-2-ol, 2-methyl-6-phenyl-
CAS Number:
16900-79-1
Molecular Formula:
C13H12O
Molecular Weight:
184.2338
IUPAC Name:
2-methyl-6-phenylhexa-3,5-diyn-2-ol
InChI:
InChI=1S/C13H12O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,14H,1-2H3
InChI Key:
VYMCMMJVDDPYFI-UHFFFAOYSA-N
SMILES:
CC(C#CC#Cc1ccccc1)(O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.238g/mol
Monoisotopic Mass:
184.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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