Cas no 652150-15-7 (Carbonic acid, 1,1-dimethylethyl 4-hydroxy-2-butenyl ester)
652150-15-7 structure
Product Name:Carbonic acid, 1,1-dimethylethyl 4-hydroxy-2-butenyl ester
CAS No:652150-15-7
MF:C9H16O4
MW:188.220943450928
CID:402336
PubChem ID:71376431
Update Time:2025-04-19
Carbonic acid, 1,1-dimethylethyl 4-hydroxy-2-butenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid, 1,1-dimethylethyl 4-hydroxy-2-butenyl ester
- tert-butyl 4-hydroxybut-2-enyl carbonate
- DTXSID50799119
- tert-Butyl 4-hydroxybut-2-en-1-yl carbonate
- 652150-15-7
-
- Inchi： 1S/C9H16O4/c1-9(2,3)13-8(11)12-7-5-4-6-10/h4-5,10H,6-7H2,1-3H3
- InChI Key： UXBVOTFGACBRBK-UHFFFAOYSA-N
- SMILES： O(C(=O)OCC=CCO)C(C)(C)C
Computed Properties
- Exact Mass: 188.10488
- Monoisotopic Mass: 188.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.1
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Carbonic acid, 1,1-dimethylethyl 4-hydroxy-2-butenyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
652150-15-7 (Carbonic acid, 1,1-dimethylethyl 4-hydroxy-2-butenyl ester) Related Products
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