Cas no 20734-18-3 (Propanedioic acid, (hydroxymethylene)-, diethyl ester)
20734-18-3 structure
Product Name:Propanedioic acid, (hydroxymethylene)-, diethyl ester
CAS No:20734-18-3
MF:C8H12O5
MW:188.177883148193
CID:1395666
PubChem ID:11063159
Update Time:2025-04-20
Propanedioic acid, (hydroxymethylene)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (hydroxymethylene)-, diethyl ester
- diethyl 2-(hydroxymethylidene)propanedioate
- DTXSID90453809
- SCHEMBL2049258
- 20734-18-3
-
- Inchi： 1S/C8H12O5/c1-3-12-7(10)6(5-9)8(11)13-4-2/h5,9H,3-4H2,1-2H3
- InChI Key： LMWRGAKQZPUJBW-UHFFFAOYSA-N
- SMILES： O(C(/C(=C\O)/C(=O)OCC)=O)CC
Computed Properties
- Exact Mass: 188.06846
- Monoisotopic Mass: 188.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 199
- 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: 1.3
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
Propanedioic acid, (hydroxymethylene)-, diethyl ester Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
20734-18-3 (Propanedioic acid, (hydroxymethylene)-, diethyl ester) Related Products
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