Cas no 84604-64-8 (3H-2-Benzopyran-3-one,octahydro-1-(1-methylethyl)-)
84604-64-8 structure
Product Name:3H-2-Benzopyran-3-one,octahydro-1-(1-methylethyl)-
CAS No:84604-64-8
MF:C12H20O2
MW:196.286004066467
CID:726913
PubChem ID:25079283
Update Time:2025-04-19
3H-2-Benzopyran-3-one,octahydro-1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3H-2-Benzopyran-3-one,octahydro-1-(1-methylethyl)-
- 1-propan-2-yl-1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
- octahydro-1-isopropyl-3H-2-benzopyran-3-one
- DTXSID601004895
- 84604-64-8
- 1-(Propan-2-yl)octahydro-3H-2-benzopyran-3-one
- EINECS 283-346-7
- NS00061201
-
- Inchi： 1S/C12H20O2/c1-8(2)12-10-6-4-3-5-9(10)7-11(13)14-12/h8-10,12H,3-7H2,1-2H3
- InChI Key： VODJLKMFVDDWEY-UHFFFAOYSA-N
- SMILES： O1C(CC2CCCCC2C1C(C)C)=O
Computed Properties
- Exact Mass: 196.146329876g/mol
- Monoisotopic Mass: 196.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 222
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 26.3?2
3H-2-Benzopyran-3-one,octahydro-1-(1-methylethyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
84604-64-8 (3H-2-Benzopyran-3-one,octahydro-1-(1-methylethyl)-) Related Products
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