Cas no 109282-32-8 (7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 5-(hydroxymethyl)-, (2-exo,3-exo,5-endo)- (9CI))
![7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 5-(hydroxymethyl)-, (2-exo,3-exo,5-endo)- (9CI) structure](https://ossimg.kuujia.com/scimg/109500/109282-32-8x500.png)
109282-32-8 structure
Product Name:7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 5-(hydroxymethyl)-, (2-exo,3-exo,5-endo)- (9CI)
CAS No:109282-32-8
MF:C9H12O6
MW:216.187983512878
CID:161408
PubChem ID:3065932
Update Time:2025-04-19
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 5-(hydroxymethyl)-, (2-exo,3-exo,5-endo)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 5-(hydroxymethyl)-, (2-exo,3-exo,5-endo)- (9CI)
- (1R,2R,3S,4S,5R)-5-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
- 5-(Hydroxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
- DTXSID30911079
- 109282-32-8
- (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid
- 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-(hydroxymethyl)-, (2-exo,3-exo,5-endo)-
-
- Inchi： 1S/C9H12O6/c10-2-3-1-4-5(8(11)12)6(9(13)14)7(3)15-4/h3-7,10H,1-2H2,(H,11,12)(H,13,14)/t3-,4-,5+,6+,7+/m1/s1
- InChI Key： AXYXTSFNIIJZED-VEIUFWFVSA-N
- SMILES： O1[C@@H]2C[C@H](CO)[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)O
Computed Properties
- Exact Mass: 216.06336
- Monoisotopic Mass: 216.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.551
- Boiling Point: 515.7°C at 760 mmHg
- Flash Point: 212.8°C
- Refractive Index: 1.57
- PSA: 104.06
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 5-(hydroxymethyl)-, (2-exo,3-exo,5-endo)- (9CI) Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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