Cas no 78844-86-7 (7-Oxabicyclo[4.1.0]hept-2-ene-3-carboxylicacid, 5-hydroxy-, methyl ester, (1R,5R,6S)-)
![7-Oxabicyclo[4.1.0]hept-2-ene-3-carboxylicacid, 5-hydroxy-, methyl ester, (1R,5R,6S)- structure](https://ossimg.kuujia.com/scimg/79000/78844-86-7x500.png)
78844-86-7 structure
Product Name:7-Oxabicyclo[4.1.0]hept-2-ene-3-carboxylicacid, 5-hydroxy-, methyl ester, (1R,5R,6S)-
CAS No:78844-86-7
MF:C8H10O4
MW:170.162602901459
CID:553570
PubChem ID:339336
Update Time:2025-04-19
7-Oxabicyclo[4.1.0]hept-2-ene-3-carboxylicacid, 5-hydroxy-, methyl ester, (1R,5R,6S)- Chemical and Physical Properties
Names and Identifiers
-
- 7-Oxabicyclo[4.1.0]hept-2-ene-3-carboxylicacid, 5-hydroxy-, methyl ester, (1R,5R,6S)-
- Methyl (1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carbo xylate
- REL-(1R,5R,6S)-3-METHOXYCARBONYL-7-OXABICYCLO[4.1.0]-HEPT-2-EN-5-OL
- (+)-3,4-Anhydroshikimic acid methyl ester
- 7-Oxabicyclo[4.1.0]hept-2-ene-3-carboxylicacid, 5-hydroxy-, methyl ester, [1R-(1a,5a,6a)]- (9CI)
- NSC-365447
- 78844-86-7
- NSC365447
- methyl (1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate
- AKOS006314746
- 2-Chlorotetrafluoropropanoylfluoride
- (+)-3,4-Anhydroshikimic acid methyl este
- DTXSID80320854
- SHIKIMIC ACID,4, ANHYDRO-, METHYL ESTER
- CHEBI:208108
- 90866-43-6
-
- Inchi： 1S/C8H10O4/c1-11-8(10)4-2-5(9)7-6(3-4)12-7/h3,5-7,9H,2H2,1H3/t5-,6-,7+/m1/s1
- InChI Key： LHPOIQVOXOVXFQ-QYNIQEEDSA-N
- SMILES： O1[C@@H]2C=C(C(=O)OC)C[C@H]([C@H]12)O
Computed Properties
- Exact Mass: 170.05790880g/mol
- Monoisotopic Mass: 170.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 245
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 59.1?2
7-Oxabicyclo[4.1.0]hept-2-ene-3-carboxylicacid, 5-hydroxy-, methyl ester, (1R,5R,6S)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
78844-86-7 (7-Oxabicyclo[4.1.0]hept-2-ene-3-carboxylicacid, 5-hydroxy-, methyl ester, (1R,5R,6S)-) Related Products
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