Cas no 149360-79-2 (diprop-2-en-1-yl methylidenepropanedioate)
149360-79-2 structure
Product Name:diprop-2-en-1-yl methylidenepropanedioate
CAS No:149360-79-2
MF:C10H12O4
MW:196.199883460999
CID:1324535
PubChem ID:177875
Update Time:2025-04-20
diprop-2-en-1-yl methylidenepropanedioate Chemical and Physical Properties
Names and Identifiers
-
- diprop-2-en-1-yl methylidenepropanedioate
- DTXSID70164244
- SCHEMBL8409550
- 149360-79-2
-
- Inchi： 1S/C10H12O4/c1-4-6-13-9(11)8(3)10(12)14-7-5-2/h4-5H,1-3,6-7H2
- InChI Key： BZNGGWJYUIIMAN-UHFFFAOYSA-N
- SMILES： O(C(C(=C)C(=O)OCC=C)=O)CC=C
Computed Properties
- Exact Mass: 196.07356
- Monoisotopic Mass: 196.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 239
- 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: 2.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.056
- Boiling Point: 219.6°C at 760 mmHg
- Flash Point: 97.1°C
- Refractive Index: 1.461
- PSA: 52.6
diprop-2-en-1-yl methylidenepropanedioate Related Literature
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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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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
149360-79-2 (diprop-2-en-1-yl methylidenepropanedioate) Related Products
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