Cas no 29745-06-0 (7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, mono(1-methylethyl) ester, (exo,exo)- (9CI))
29745-06-0 structure
Product Name:7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, mono(1-methylethyl) ester, (exo,exo)- (9CI)
CAS No:29745-06-0
MF:C11H16O5
MW:228.241744041443
CID:277429
PubChem ID:207351
Update Time:2025-04-19
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, mono(1-methylethyl) ester, (exo,exo)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, mono(1-methylethyl) ester, (exo,exo)- (9CI)
- 3-propan-2-yloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
- 29745-06-0
- exo-cis-7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid isopropyl ester
- 3-{[(Propan-2-yl)oxy]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
- DTXSID10952182
- BRN 3963682
- 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, isopropyl ester, exo-(Z)-
-
- Inchi: 1S/C11H16O5/c1-5(2)15-11(14)9-7-4-3-6(16-7)8(9)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)
- InChI Key: QWQBZOTXZNXLIH-UHFFFAOYSA-N
- SMILES: O1C2CCC1C(C(=O)OC(C)C)C2C(=O)O
Computed Properties
- Exact Mass: 228.09978
- Monoisotopic Mass: 228.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 312
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 1.271
- Boiling Point: 354.8°Cat760mmHg
- Flash Point: 135.9°C
- Refractive Index: 1.509
- PSA: 72.83
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, mono(1-methylethyl) ester, (exo,exo)- (9CI) Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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