Cas no 150044-67-0 (1,4-Cycloheptanedione,6-hydroxy-)
150044-67-0 structure
Product Name:1,4-Cycloheptanedione,6-hydroxy-
CAS No:150044-67-0
MF:C7H10O3
MW:142.152502536774
CID:234637
PubChem ID:44153420
Update Time:2025-04-19
1,4-Cycloheptanedione,6-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Cycloheptanedione,6-hydroxy-
- 6-hydroxycycloheptane-1,4-dione
- 6-Hydroxycyclohepta-1,4-dione
- SCHEMBL17867340
- 6-Hydroxy-1,4-cycloheptanedione
- DTXSID40933863
- 1,4-Cycloheptanedione, 6-hydroxy-
- 150044-67-0
-
- Inchi： 1S/C7H10O3/c8-5-1-2-6(9)4-7(10)3-5/h7,10H,1-4H2
- InChI Key： NRXOOOQNQGCDDO-UHFFFAOYSA-N
- SMILES： OC1CC(CCC(C1)=O)=O
Computed Properties
- Exact Mass: 142.063
- Monoisotopic Mass: 142.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 144
- 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
- Topological Polar Surface Area: 54.4A^2
- XLogP3: -1.3
1,4-Cycloheptanedione,6-hydroxy- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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