Cas no 1117-29-9 (NONANEDIOIC ACID, 3-OXO-, DIETHYL ESTER)
1117-29-9 structure
Product Name:NONANEDIOIC ACID, 3-OXO-, DIETHYL ESTER
CAS No:1117-29-9
MF:C13H22O5
MW:258.310784816742
CID:3475464
PubChem ID:14006762
Update Time:2025-04-21
NONANEDIOIC ACID, 3-OXO-, DIETHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- NONANEDIOIC ACID, 3-OXO-, DIETHYL ESTER
- 1,9-DIETHYL 3-OXONONANEDIOATE
- DTXSID601306948
- 1117-29-9
- DIETHYL2-OXOHEPTANE-1,7-DICARBOXYLATE
- SCHEMBL9958801
-
- Inchi： 1S/C13H22O5/c1-3-17-12(15)9-7-5-6-8-11(14)10-13(16)18-4-2/h3-10H2,1-2H3
- InChI Key： SIHMFPGVUBQIKU-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)CC(=O)CCCCCC(OCC)=O
Computed Properties
- Exact Mass: 258.14672380Da
- Monoisotopic Mass: 258.14672380Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 273
- 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: 1.7
- Topological Polar Surface Area: 69.7?2
NONANEDIOIC ACID, 3-OXO-, DIETHYL ESTER Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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