Cas no 135357-67-4 (3-Oxatricyclo[3.2.1.02,4]octane-6-carboxylicacid,[1R-(1alpha,2beta,4beta,5alpha,6alpha)]-(9CI))
![3-Oxatricyclo[3.2.1.02,4]octane-6-carboxylicacid,[1R-(1alpha,2beta,4beta,5alpha,6alpha)]-(9CI) structure](https://ossimg.kuujia.com/scimg/135500/135357-67-4x500.png)
135357-67-4 structure
Product Name:3-Oxatricyclo[3.2.1.02,4]octane-6-carboxylicacid,[1R-(1alpha,2beta,4beta,5alpha,6alpha)]-(9CI)
CAS No:135357-67-4
MF:C8H10O3
MW:154.163202762604
CID:1020529
PubChem ID:120629
Update Time:2024-02-29
3-Oxatricyclo[3.2.1.02,4]octane-6-carboxylicacid,[1R-(1alpha,2beta,4beta,5alpha,6alpha)]-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 3-Oxatricyclo[3.2.1.02,4]octane-6-carboxylicacid,[1R-(1alpha,2beta,4beta,5alpha,6alpha)]-(9CI)
- 3-Oxatricyclo[3.2.1.02,4]octane-6-carboxylic acid, [1R-(1α,2β,4β,5α,6α)]- (9CI)
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- Inchi： 1S/C8H10O3/c9-8(10)5-2-3-1-4(5)7-6(3)11-7/h3-7H,1-2H2,(H,9,10)/t3-,4-,5-,6-,7+/m1/s1
- InChI Key： TUYAYQSYGXMTGC-GKHCUFPYSA-N
- SMILES： [C@@]12([H])C[C@]([H])([C@H](C(O)=O)C1)[C@@]1([H])[C@]2([H])O1
Computed Properties
- Exact Mass: 154.062994177g/mol
- Monoisotopic Mass: 154.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 49.8?2
3-Oxatricyclo[3.2.1.02,4]octane-6-carboxylicacid,[1R-(1alpha,2beta,4beta,5alpha,6alpha)]-(9CI) Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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