Cas no 23370-80-1 (Octanedioic acid, 4-methyl-5-oxo-)
23370-80-1 structure
Product Name:Octanedioic acid, 4-methyl-5-oxo-
CAS No:23370-80-1
MF:C9H14O5
MW:202.204463481903
CID:238653
PubChem ID:54514153
Update Time:2025-04-19
Octanedioic acid, 4-methyl-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Octanedioic acid, 4-methyl-5-oxo-
- 4-methyl-5-oxooctanedioic acid
- 23370-80-1
- DTXSID70711878
-
- Inchi： 1S/C9H14O5/c1-6(2-4-8(11)12)7(10)3-5-9(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
- InChI Key： YLFNYESJYNTRNR-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)O)C(C)CCC(=O)O
Computed Properties
- Exact Mass: 202.08412
- Monoisotopic Mass: 202.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 233
- 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
- Topological Polar Surface Area: 91.7A^2
- XLogP3: -0.3
Experimental Properties
- PSA: 91.67
Octanedioic acid, 4-methyl-5-oxo- Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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