Cas no 91253-92-8 (6-METHYLOCTAHYDRONAPHTHALEN-2(1H)-ONE)
91253-92-8 structure
Product Name:6-METHYLOCTAHYDRONAPHTHALEN-2(1H)-ONE
CAS No:91253-92-8
MF:C11H18O
MW:166.260023593903
CID:3326794
PubChem ID:67967191
Update Time:2025-04-21
6-METHYLOCTAHYDRONAPHTHALEN-2(1H)-ONE Chemical and Physical Properties
Names and Identifiers
-
- 6-METHYLOCTAHYDRONAPHTHALEN-2(1H)-ONE
- 91253-92-8
- SCHEMBL9924736
-
- Inchi： 1S/C11H18O/c1-8-2-3-10-7-11(12)5-4-9(10)6-8/h8-10H,2-7H2,1H3
- InChI Key： YLYMUDUMOUDDAW-UHFFFAOYSA-N
- SMILES： O=C1CCC2CC(C)CCC2C1
Computed Properties
- Exact Mass: 166.135765193g/mol
- Monoisotopic Mass: 166.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 185
- 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: 2.7
- Topological Polar Surface Area: 17.1?2
6-METHYLOCTAHYDRONAPHTHALEN-2(1H)-ONE Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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