Cas no 13030-92-7 (2,7-Oxecanedione)
2,7-Oxecanedione structure
Product Name:2,7-Oxecanedione
CAS No:13030-92-7
MF:C9H14O3
MW:170.205663204193
CID:186931
PubChem ID:266992
Update Time:2025-04-19
2,7-Oxecanedione Chemical and Physical Properties
Names and Identifiers
-
- 2,7-Oxecanedione
- oxecane-2,7-dione
- 6-Ketononanolide
- 6-oxononano-9-lactone
- AC1L6H8Z
- AC1Q6HRS
- NSC106088
- oxecane-2,7-quinone
- SureCN3324936
- 13030-92-7
- Nonanoic acid, .theta.-lactone
- NSC-106088
- oxacyclodeca-2,7-dione
- SCHEMBL3324936
- DTXSID10295884
-
- Inchi： 1S/C9H14O3/c10-8-4-1-2-6-9(11)12-7-3-5-8/h1-7H2
- InChI Key： XVJSPKCFYMUFRT-UHFFFAOYSA-N
- SMILES： O1C(CCCCC(CCC1)=O)=O
Computed Properties
- Exact Mass: 170.09432
- Monoisotopic Mass: 170.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 175
- 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: -0.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2,7-Oxecanedione Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
13030-92-7 (2,7-Oxecanedione) Related Products
- 110-38-3(Ethyl decanoate)
- 110-40-7(Diethyl decanedioate)
- 106-32-1(Ethyl n-Caprylate)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 105-50-0(Diethyl 3-oxopentanedioate)
- 109-43-3(dibutyl sebacate)
- 123-29-5(Ethyl nonanoate)
- 123-95-5(Butyl stearate)
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