Cas no 745014-14-6 (2-Pyrrolidinone,5-(hydroxymethyl)-4-(1-methylethyl)-,(4R,5S)-(9CI))
745014-14-6 structure
Product Name:2-Pyrrolidinone,5-(hydroxymethyl)-4-(1-methylethyl)-,(4R,5S)-(9CI)
CAS No:745014-14-6
MF:C8H15NO2
MW:157.210202455521
CID:560655
Update Time:2023-03-29
2-Pyrrolidinone,5-(hydroxymethyl)-4-(1-methylethyl)-,(4R,5S)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Pyrrolidinone,5-(hydroxymethyl)-4-(1-methylethyl)-, (4R,5S)-
- 2-Pyrrolidinone,5-(hydroxymethyl)-4-(1-methylethyl)-,(4R,5S)-(9CI)
- 2-Pyrrolidinone, 5-(hydroxymethyl)-4-(1-methylethyl)-, (4R,5S)-
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- Inchi： 1S/C8H15NO2/c1-5(2)6-3-8(11)9-7(6)4-10/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t6-,7-/m1/s1
- InChI Key： XHIBUZPUXUUALT-RNFRBKRXSA-N
- SMILES： N1[C@H](CO)[C@@H](C(C)C)CC1=O
Computed Properties
- Exact Mass: 157.11
- Monoisotopic Mass: 157.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 156
- 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
- Topological Polar Surface Area: 49.3A^2
2-Pyrrolidinone,5-(hydroxymethyl)-4-(1-methylethyl)-,(4R,5S)-(9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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