Cas no 3646-44-4 (5-Decynedioic acid)
5-Decynedioic acid structure
Product Name:5-Decynedioic acid
CAS No:3646-44-4
MF:C10H14O4
MW:198.215763568878
CID:319924
PubChem ID:151135
Update Time:2025-04-19
5-Decynedioic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Decynedioic acid
- dec-5-ynedioic acid
- CHEMBL1976338
- DTXSID30189973
- NCI60_023271
- NSC666699
- 3646-44-4
- NSC-666699
- SCHEMBL4969330
-
- Inchi： 1S/C10H14O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h3-8H2,(H,11,12)(H,13,14)
- InChI Key： MYYSSKJPRXUJHE-UHFFFAOYSA-N
- SMILES： OC(CCCC#CCCCC(=O)O)=O
Computed Properties
- Exact Mass: 198.08922
- Monoisotopic Mass: 198.089209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 232
- 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
- Topological Polar Surface Area: 74.6
- XLogP3: 0.9
Experimental Properties
- Density: 1.192
- Boiling Point: 416.6°C at 760 mmHg
- Flash Point: 219.9°C
- Refractive Index: 1.507
- PSA: 74.6
5-Decynedioic acid Related Literature
-
1. Anodic syntheses. Part XIV. The use of acetylenic components. A new synthesis of oleic acidB. W. Baker,R. P. Linstead,B. C. L. Weedon J. Chem. Soc. 1955 2218
3646-44-4 (5-Decynedioic acid) Related Products
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