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189078-68-0 | 2,3-Butadienoic acid, 1,1-dimethylethyl ester
CAS No: 189078-68-0 Catalog No: AG002HTX MDL No:
Product Description
Catalog Number:
AG002HTX
Chemical Name:
2,3-Butadienoic acid, 1,1-dimethylethyl ester
CAS Number:
189078-68-0
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
tert-butyl buta-2,3-dienoate
InChI:
InChI=1S/C8H12O2/c1-5-6-7(9)10-8(2,3)4/h6H,1H2,2-4H3
InChI Key:
KJSSXAAJPJLEOA-UHFFFAOYSA-N
SMILES:
C=C=CC(=O)OC(C)(C)C
Properties
Complexity:
168
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| A phosphine-catalyzed [3+2] cycloaddition strategy leading to the first total synthesis of (-)-hinesol. | The Journal of organic chemistry 20030808 |
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