Cas no 16900-79-1 (3,5-Hexadiyn-2-ol, 2-methyl-6-phenyl-)
16900-79-1 structure
Product Name:3,5-Hexadiyn-2-ol, 2-methyl-6-phenyl-
CAS No:16900-79-1
MF:C13H12O
MW:184.233783721924
CID:1350863
PubChem ID:4088445
Update Time:2025-04-20
3,5-Hexadiyn-2-ol, 2-methyl-6-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Hexadiyn-2-ol, 2-methyl-6-phenyl-
- 2-methyl-6-phenylhexa-3,5-diyn-2-ol
- AKOS024352183
- 16900-79-1
- SCHEMBL3190454
- VYMCMMJVDDPYFI-UHFFFAOYSA-N
- DTXSID70399170
- 2-methyl-6-phenyl-hexa-3,5-diyn-2-ol
-
- 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： OC(C#CC#CC1C=CC=CC=1)(C)C
Computed Properties
- Exact Mass: 184.08886
- Monoisotopic Mass: 184.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3,5-Hexadiyn-2-ol, 2-methyl-6-phenyl- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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