Cas no 33969-55-0 (Heptanediol)
Heptanediol structure
Product Name:Heptanediol
CAS No:33969-55-0
MF:C7H16O2
MW:132.200742721558
CID:292681
PubChem ID:19940199
Update Time:2025-04-19
Heptanediol Chemical and Physical Properties
Names and Identifiers
-
- Heptanediol
- heptane-1,1-diol
- 33969-55-0
- MHIBEGOZTWERHF-UHFFFAOYSA-N
- heptane diol
- DTXSID70601442
- SCHEMBL163175
-
- Inchi： 1S/C7H16O2/c1-2-3-4-5-6-7(8)9/h7-9H,2-6H2,1H3
- InChI Key： MHIBEGOZTWERHF-UHFFFAOYSA-N
- SMILES： OC(CCCCCC)O
Computed Properties
- Exact Mass: 132.11508
- Monoisotopic Mass: 132.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 52.9
- 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: 1.9
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
Heptanediol Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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