Cas no 7056-56-6 (2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, (4aR,8aS)-rel-)
7056-56-6 structure
Product Name:2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, (4aR,8aS)-rel-
CAS No:7056-56-6
MF:C13H22O
MW:194.313184261322
CID:2841907
PubChem ID:71402357
Update Time:2024-03-01
2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, (4aR,8aS)-rel- Chemical and Physical Properties
Names and Identifiers
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- 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, (4aR,8aS)-rel-
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- Inchi： 1S/C13H22O/c1-12(2)6-7-13(3)5-4-11(14)8-10(13)9-12/h10H,4-9H2,1-3H3/t10-,13+/m1/s1
- InChI Key： ZKWRFQLWFFFFRA-MFKMUULPSA-N
- SMILES： C1[C@@]2([H])[C@](C)(CCC(C)(C)C2)CCC1=O
Computed Properties
- Exact Mass: 194.167065321g/mol
- Monoisotopic Mass: 194.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 17.1?2
2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, (4aR,8aS)-rel- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
7056-56-6 (2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, (4aR,8aS)-rel-) Related Products
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