Cas no 721427-57-2 (Cyclohexanone,5-(hydroxymethyl)-2-(1-methylethyl)-)
721427-57-2 structure
Product Name:Cyclohexanone,5-(hydroxymethyl)-2-(1-methylethyl)-
CAS No:721427-57-2
MF:C10H18O2
MW:170.248723506927
CID:558446
PubChem ID:45096467
Update Time:2025-04-19
Cyclohexanone,5-(hydroxymethyl)-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanone,5-(hydroxymethyl)-2-(1-methylethyl)-
- Cyclohexanone, 5-(hydroxymethyl)-2-(1-methylethyl)- (9CI)
- Cyclohexanone,5-(hydroxymethyl)-2-(1-methylethyl)-(9ci)
- 721427-57-2
-
- Inchi： 1S/C10H18O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h7-9,11H,3-6H2,1-2H3
- InChI Key： RBXRHMLPBUCXEL-UHFFFAOYSA-N
- SMILES： O=C1CC(CO)CCC1C(C)C
Computed Properties
- Exact Mass: 170.130679813g/mol
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 163
- 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: 1.3
- Topological Polar Surface Area: 37.3?2
Cyclohexanone,5-(hydroxymethyl)-2-(1-methylethyl)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
721427-57-2 (Cyclohexanone,5-(hydroxymethyl)-2-(1-methylethyl)-) Related Products
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