Cas no 127380-61-4 (7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-methyl-, (1R,2S,3R,4S)-rel-)
![7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-methyl-, (1R,2S,3R,4S)-rel- structure](https://ossimg.kuujia.com/scimg/127500/127380-61-4x500.png)
127380-61-4 structure
Product Name:7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-methyl-, (1R,2S,3R,4S)-rel-
CAS No:127380-61-4
MF:C9H12O5
MW:200.188583374023
CID:206847
PubChem ID:3080170
Update Time:2025-04-19
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-methyl-, (1R,2S,3R,4S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-methyl-, (1R,2S,3R,4S)-rel-
- (4R)-3-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
- 2-Methylendothall
- 2-Methyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid (exo,exo)-
- 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 2-methyl-, (exo,exo)-
- 2-Methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
- DTXSID70925877
- 127380-61-4
-
- Inchi： 1S/C9H12O5/c1-9(8(12)13)5-3-2-4(14-5)6(9)7(10)11/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)/t4?,5-,6?,9?/m1/s1
- InChI Key： XIUCRMDWTGSKBJ-HPYKLGITSA-N
- SMILES： O1C2CC[C@@H]1C(C(=O)O)(C)C2C(=O)O
Computed Properties
- Exact Mass: 200.06846
- Monoisotopic Mass: 200.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- Density: 1.438
- Boiling Point: 423.1°Cat760mmHg
- Flash Point: 175.2°C
- Refractive Index: 1.547
- PSA: 83.83
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-methyl-, (1R,2S,3R,4S)-rel- Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
127380-61-4 (7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-methyl-, (1R,2S,3R,4S)-rel-) Related Products
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