Cas no 87841-68-7 (2-Pentanone, 4-(phenylmethoxy)-, (R)-)
87841-68-7 structure
Product Name:2-Pentanone, 4-(phenylmethoxy)-, (R)-
CAS No:87841-68-7
MF:C12H16O2
MW:192.254243850708
CID:651777
PubChem ID:11194857
Update Time:2025-04-19
2-Pentanone, 4-(phenylmethoxy)-, (R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 4-(phenylmethoxy)-, (R)-
- (4R)-4-phenylmethoxypentan-2-one
- SCHEMBL21536617
- DTXSID50458315
- 87841-68-7
-
- Inchi： 1S/C12H16O2/c1-10(13)8-11(2)14-9-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1
- InChI Key： DAAXEYYCKRFXRA-LLVKDONJSA-N
- SMILES： O(CC1C=CC=CC=1)[C@H](C)CC(C)=O
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: 1.7
- Topological Polar Surface Area: 26.3?2
2-Pentanone, 4-(phenylmethoxy)-, (R)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
87841-68-7 (2-Pentanone, 4-(phenylmethoxy)-, (R)-) Related Products
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