Cas no 918799-07-2 ((1S,2S,3R)-2-Methyl-1-(4-nitrophenyl)pentane-1,3-diol)
918799-07-2 structure
Product Name:(1S,2S,3R)-2-Methyl-1-(4-nitrophenyl)pentane-1,3-diol
CAS No:918799-07-2
MF:C12H17NO4
MW:239.267683744431
CID:770876
Update Time:2023-08-03
(1S,2S,3R)-2-Methyl-1-(4-nitrophenyl)pentane-1,3-diol Chemical and Physical Properties
Names and Identifiers
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- 1,3-Pentanediol, 2-methyl-1-(4-nitrophenyl)-, (1S,2S,3R)-
- (1S,2S,3R)-2-methyl-1-(4-nitrophenyl)pentane-1,3-diol
- (1S,2S,3R)-2-Methyl-1-(4-nitrophenyl)pentane-1,3-diol
-
- Inchi： 1S/C12H17NO4/c1-3-11(14)8(2)12(15)9-4-6-10(7-5-9)13(16)17/h4-8,11-12,14-15H,3H2,1-2H3/t8-,11+,12-/m0/s1
- InChI Key： FOOWCZAPFNVTAR-AXTRIDKLSA-N
- SMILES： O[C@H](CC)[C@H](C)[C@@H](C1C=CC(=CC=1)[N+](=O)[O-])O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 245
- Topological Polar Surface Area: 86.3
(1S,2S,3R)-2-Methyl-1-(4-nitrophenyl)pentane-1,3-diol Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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