Cas no 143004-06-2 (2-Heptanone,4-hydroxy-, (4R)-)
2-Heptanone,4-hydroxy-, (4R)- structure
Product Name:2-Heptanone,4-hydroxy-, (4R)-
CAS No:143004-06-2
MF:C7H14O2
MW:130.184862613678
CID:108079
PubChem ID:11007930
Update Time:2025-04-18
2-Heptanone,4-hydroxy-, (4R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone,4-hydroxy-, (4R)-
- 2-Heptanone,4-hydroxy-,(4R)-(9ci)
- 2-Heptanone, 4-hydroxy-, (4R)- (9CI)
- 143004-06-2
- SCHEMBL20530452
- (4R)-4-HYDROXYHEPTAN-2-ONE
-
- Inchi： 1S/C7H14O2/c1-3-4-7(9)5-6(2)8/h7,9H,3-5H2,1-2H3/t7-/m1/s1
- InChI Key： QSJHFVISBQRPRU-SSDOTTSWSA-N
- SMILES： O[C@@H](CC(C)=O)CCC
Computed Properties
- Exact Mass: 130.09942
- Monoisotopic Mass: 130.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 88.9
- 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: 0.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Heptanone,4-hydroxy-, (4R)- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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