Cas no 138380-46-8 (Propanoic acid,3,3-dihydroxy-2-oxo-, ethyl ester)
138380-46-8 structure
Product Name:Propanoic acid,3,3-dihydroxy-2-oxo-, ethyl ester
CAS No:138380-46-8
MF:C5H8O5
MW:148.114022254944
CID:157679
PubChem ID:3071714
Update Time:2025-04-19
Propanoic acid,3,3-dihydroxy-2-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3,3-dihydroxy-2-oxo-, ethyl ester
- ethyl 3,3-dihydroxy-2-oxopropanoate
- 1H-Indolo(3,2-c)quinoline-1,4(11H)-dione, 2,6-dimethyl-
- 2,6-Dimethylindolo(3,2-c)quinoline-1,4-dione
- 2,6-Dimethyl-1H-indolo(3,2-c)quinoline-1,4(11H)-dione
- 138380-46-8
- DTXSID20160650
-
- Inchi： 1S/C5H8O5/c1-2-10-5(9)3(6)4(7)8/h4,7-8H,2H2,1H3
- InChI Key： XSQBUSBHZUKJFU-UHFFFAOYSA-N
- SMILES： O(C(C(C(O)O)=O)=O)CC
Computed Properties
- Exact Mass: 148.03714
- Monoisotopic Mass: 148.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 139
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
Propanoic acid,3,3-dihydroxy-2-oxo-, ethyl ester Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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