Cas no 28805-55-2 (Butanedioic acid, hexenyl-)
Butanedioic acid, hexenyl- structure
Product Name:Butanedioic acid, hexenyl-
CAS No:28805-55-2
MF:C10H16O4
MW:200.231643676758
CID:238143
PubChem ID:53767819
Update Time:2025-04-19
Butanedioic acid, hexenyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, hexenyl-
- 2-hex-1-enylbutanedioic acid
- DTXSID80706518
- 2-(Hex-1-en-1-yl)butanedioic acid
- 28805-55-2
-
- Inchi： 1S/C10H16O4/c1-2-3-4-5-6-8(10(13)14)7-9(11)12/h5-6,8H,2-4,7H2,1H3,(H,11,12)(H,13,14)
- InChI Key： DMNJWIGKABXQGQ-UHFFFAOYSA-N
- SMILES： OC(C(CC(=O)O)C=CCCCC)=O
Computed Properties
- Exact Mass: 200.10488
- Monoisotopic Mass: 200.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.8
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Butanedioic acid, hexenyl- Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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