Cas no 6897-69-4 (1(2H)-Naphthalenone, 3,4-dihydro-2,5,7-trimethyl-)
6897-69-4 structure
Product Name:1(2H)-Naphthalenone, 3,4-dihydro-2,5,7-trimethyl-
CAS No:6897-69-4
MF:C13H16O
MW:188.265543937683
CID:392402
PubChem ID:20751885
Update Time:2025-04-19
1(2H)-Naphthalenone, 3,4-dihydro-2,5,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Naphthalenone, 3,4-dihydro-2,5,7-trimethyl-
- 2,5,7-trimethyl-3,4-dihydro-2H-naphthalen-1-one
- 2,5,7-Trimethyl-3,4-dihydronaphthalen-1(2H)-one
- 6897-69-4
- DTXSID20609610
-
- Inchi： 1S/C13H16O/c1-8-6-10(3)11-5-4-9(2)13(14)12(11)7-8/h6-7,9H,4-5H2,1-3H3
- InChI Key： FDIUTZDNTGGXGB-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C)C=C(C)C=2CCC1C
Computed Properties
- Exact Mass: 188.12018
- Monoisotopic Mass: 188.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1(2H)-Naphthalenone, 3,4-dihydro-2,5,7-trimethyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
6897-69-4 (1(2H)-Naphthalenone, 3,4-dihydro-2,5,7-trimethyl-) Related Products
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