Cas no 73073-43-5 (3-Heptanone, 6-hydroxy-)
3-Heptanone, 6-hydroxy- structure
Product Name:3-Heptanone, 6-hydroxy-
CAS No:73073-43-5
MF:C7H14O2
MW:130.184862613678
CID:530925
PubChem ID:12607584
Update Time:2025-04-19
3-Heptanone, 6-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptanone, 6-hydroxy-
- 6-hydroxyheptan-3-one
- SCHEMBL9246597
- AKOS017978195
- DTXSID50504220
- 73073-43-5
-
- Inchi： 1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h6,8H,3-5H2,1-2H3
- InChI Key： DWMNUVZLRBCGOL-UHFFFAOYSA-N
- SMILES： OC(C)CCC(CC)=O
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: 0
- Undefined Atom Stereocenter Count : 1
- 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
3-Heptanone, 6-hydroxy- Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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