Cas no 173851-00-8 (2-Pentanone, 3-hydroxy-4-methyl-, (R)- (9CI))
173851-00-8 structure
Product Name:2-Pentanone, 3-hydroxy-4-methyl-, (R)- (9CI)
CAS No:173851-00-8
MF:C6H12O2
MW:116.158282279968
CID:905962
PubChem ID:45085095
Update Time:2025-04-19
2-Pentanone, 3-hydroxy-4-methyl-, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 3-hydroxy-4-methyl-, (R)- (9CI)
- 2-Pentanone,3-hydroxy-4-methyl-,(R)-(9ci)
- SCHEMBL8928019
- 173851-00-8
-
- Inchi： 1S/C6H12O2/c1-4(2)6(8)5(3)7/h4,6,8H,1-3H3/t6-/m1/s1
- InChI Key： IGPIDYBTABPKQT-ZCFIWIBFSA-N
- SMILES： O[C@@H](C(C)=O)C(C)C
Computed Properties
- Exact Mass: 116.08376
- Monoisotopic Mass: 116.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 86.5
- 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: 0.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Pentanone, 3-hydroxy-4-methyl-, (R)- (9CI) Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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