Cas no 17046-01-4 (2-Heptanone, 1-hydroxy-)
2-Heptanone, 1-hydroxy- structure
Product Name:2-Heptanone, 1-hydroxy-
CAS No:17046-01-4
MF:C7H14O2
MW:130.184862613678
CID:1352241
PubChem ID:12691664
Update Time:2025-04-20
2-Heptanone, 1-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone, 1-hydroxy-
- 1-hydroxyheptan-2-one
- heptonol
- SCHEMBL96582
- DTXSID10507055
- 17046-01-4
-
- Inchi： 1S/C7H14O2/c1-2-3-4-5-7(9)6-8/h8H,2-6H2,1H3
- InChI Key： GDVFVEWTCYWKGV-UHFFFAOYSA-N
- SMILES： O=C(CO)CCCCC
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: 5
- Complexity: 79
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Heptanone, 1-hydroxy- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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