Cas no 23271-86-5 (Butanedioic acid,hydroxy-, 1-(2-hydroxypropyl) ester (9CI))
23271-86-5 structure
Product Name:Butanedioic acid,hydroxy-, 1-(2-hydroxypropyl) ester (9CI)
Butanedioic acid,hydroxy-, 1-(2-hydroxypropyl) ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,hydroxy-, 1-(2-hydroxypropyl) ester (9CI)
- 3-hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid
- SCHEMBL669418
- DTXSID80274929
- 23271-86-5
-
- Inchi： 1S/C7H12O6/c1-4(8)3-13-7(12)5(9)2-6(10)11/h4-5,8-9H,2-3H2,1H3,(H,10,11)
- InChI Key： QNZQFOOFJVIUHB-UHFFFAOYSA-N
- SMILES： O(C(C(CC(=O)O)O)=O)CC(C)O
Computed Properties
- Exact Mass: 192.06336
- Monoisotopic Mass: 192.063388
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 104
- XLogP3: -1.3
Experimental Properties
- Density: 1.392
- Boiling Point: 441°C at 760 mmHg
- Flash Point: 183.2°C
- Refractive Index: 1.503
- PSA: 104.06
Butanedioic acid,hydroxy-, 1-(2-hydroxypropyl) ester (9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
23271-86-5 (Butanedioic acid,hydroxy-, 1-(2-hydroxypropyl) ester (9CI)) Related Products
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- 608-68-4((+)-Dimethyl L-Tartrate)
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