Cas no 4355-03-7 (2-ethyl-2-prop-2-enylpropanedioic Acid)
4355-03-7 structure
Product Name:2-ethyl-2-prop-2-enylpropanedioic Acid
2-ethyl-2-prop-2-enylpropanedioic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-2-prop-2-enylpropanedioic Acid
- AC1L6RBY; NSC168188; Aethyl-allyl-malonsaeure; ethyl-allyl-malonic acid; ethyl(prop-2-en-1-yl)propanedioic acid; Ethyl-allyl-malonsaeure;
- SCHEMBL11131461
- NSC168188
- DTXSID80304912
- NSC-168188
- ethyl(prop-2-en-1-yl)propanedioic acid
- 4355-03-7
-
- Inchi： 1S/C8H12O4/c1-3-5-8(4-2,6(9)10)7(11)12/h3H,1,4-5H2,2H3,(H,9,10)(H,11,12)
- InChI Key： UKRFQOOVRHUBIR-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)(CC=C)CC)=O
Computed Properties
- Exact Mass: 172.07356
- Monoisotopic Mass: 172.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 193
- 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: 74.6?2
Experimental Properties
- PSA: 74.6
- LogP: 1.12810
2-ethyl-2-prop-2-enylpropanedioic Acid Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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