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825627-86-9 | Propanoic acid, 2,2-dimethyl-, 4-(ethenyloxy)-4-phenyl-2-butynyl ester
CAS No: 825627-86-9 Catalog No: AG005DTH MDL No:
Product Description
Catalog Number:
AG005DTH
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 4-(ethenyloxy)-4-phenyl-2-butynyl ester
CAS Number:
825627-86-9
Molecular Formula:
C17H20O3
Molecular Weight:
272.3389
IUPAC Name:
(4-ethenoxy-4-phenylbut-2-ynyl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C17H20O3/c1-5-19-15(14-10-7-6-8-11-14)12-9-13-20-16(18)17(2,3)4/h5-8,10-11,15H,1,13H2,2-4H3
InChI Key:
LQVFBYIAXQRPJB-UHFFFAOYSA-N
SMILES:
C=COC(c1ccccc1)C#CCOC(=O)C(C)(C)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.141g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.344g/mol
Monoisotopic Mass:
272.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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