Cas no 55424-57-2 (1,4,7-Heptanetriol, 3-chloro-)
1,4,7-Heptanetriol, 3-chloro- structure
Product Name:1,4,7-Heptanetriol, 3-chloro-
CAS No:55424-57-2
MF:C7H15ClO3
MW:182.645201921463
CID:335854
PubChem ID:71441554
Update Time:2025-04-19
1,4,7-Heptanetriol, 3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7-Heptanetriol, 3-chloro-
- 3-chloroheptane-1,4,7-triol
- 55424-57-2
- DTXSID20850483
-
- Inchi： 1S/C7H15ClO3/c8-6(3-5-10)7(11)2-1-4-9/h6-7,9-11H,1-5H2
- InChI Key： NFUYJEOCUIJFAF-UHFFFAOYSA-N
- SMILES： ClC(CCO)C(CCCO)O
Computed Properties
- Exact Mass: 182.0709720g/mol
- Monoisotopic Mass: 182.0709720g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 89.8
- 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: 0
- Topological Polar Surface Area: 60.7?2
1,4,7-Heptanetriol, 3-chloro- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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