Cas no 91635-53-9 (6,7-Dodecanediol)
6,7-Dodecanediol structure
Product Name:6,7-Dodecanediol
CAS No:91635-53-9
MF:C12H26O2
MW:202.333644390106
CID:786855
PubChem ID:10943560
Update Time:2025-04-19
6,7-Dodecanediol Chemical and Physical Properties
Names and Identifiers
-
- 6,7-Dodecanediol
- dodecane-6,7-diol
- 91635-53-9
- SCHEMBL1295728
- DTXSID10449249
-
- Inchi： 1S/C12H26O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h11-14H,3-10H2,1-2H3
- InChI Key： RTJLDNBCNXKTTG-UHFFFAOYSA-N
- SMILES： OC(CCCCC)C(CCCCC)O
Computed Properties
- Exact Mass: 202.193280068g/mol
- Monoisotopic Mass: 202.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 101
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 40.5?2
6,7-Dodecanediol Related Literature
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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
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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