Cas no 82167-79-1 (2-Butanone, 3-methyl-4-(phenylmethoxy)-, (R)-)
82167-79-1 structure
Product Name:2-Butanone, 3-methyl-4-(phenylmethoxy)-, (R)-
CAS No:82167-79-1
MF:C12H16O2
MW:192.254243850708
CID:697752
PubChem ID:11116878
Update Time:2025-04-19
2-Butanone, 3-methyl-4-(phenylmethoxy)-, (R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 3-methyl-4-(phenylmethoxy)-, (R)-
- (3R)-3-methyl-4-phenylmethoxybutan-2-one
- SCHEMBL16743934
- 82167-79-1
- DTXSID10455784
-
- Inchi： 1S/C12H16O2/c1-10(11(2)13)8-14-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/t10-/m1/s1
- InChI Key： LDQLPBDLBWIONC-SNVBAGLBSA-N
- SMILES： O(CC1C=CC=CC=1)C[C@H](C(C)=O)C
Computed Properties
- Exact Mass: 192.115029749g/mol
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 26.3?2
2-Butanone, 3-methyl-4-(phenylmethoxy)-, (R)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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