Cas no 55919-77-2 (2-Propenoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester)
55919-77-2 structure
Product Name:2-Propenoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
2-Propenoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
- 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acrylate
- [3-hydroxy-2,2-bis(hydroxymethyl)propyl] prop-2-enoate
- ZCZFEIZSYJAXKS-UHFFFAOYSA-N
- NS00033429
- pentaerythritol acrylate
- SCHEMBL123908
- 55919-77-2
- 37JG22448T
- EINECS 259-906-1
- 2-Propenoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
- DTXSID70204518
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- Inchi： 1S/C8H14O5/c1-2-7(12)13-6-8(3-9,4-10)5-11/h2,9-11H,1,3-6H2
- InChI Key： ZCZFEIZSYJAXKS-UHFFFAOYSA-N
- SMILES： O(C(C=C)=O)CC(CO)(CO)CO
Computed Properties
- Exact Mass: 190.08412
- Monoisotopic Mass: 190.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 165
- 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
- Topological Polar Surface Area: 87?2
Experimental Properties
- PSA: 86.99
2-Propenoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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