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168557-58-2 | Propanedioic acid, 2-(2,2-diethoxyethyl)-2-(2-propyn-1-yl)-, 1,3-diethyl ester
CAS No: 168557-58-2 Catalog No: AG001Y5A MDL No:
Product Description
Catalog Number:
AG001Y5A
Chemical Name:
Propanedioic acid, 2-(2,2-diethoxyethyl)-2-(2-propyn-1-yl)-, 1,3-diethyl ester
CAS Number:
168557-58-2
Molecular Formula:
C16H26O6
Molecular Weight:
314.3740
IUPAC Name:
diethyl 2-(2,2-diethoxyethyl)-2-prop-1-ynylpropanedioate
InChI:
InChI=1S/C16H26O6/c1-6-11-16(14(17)21-9-4,15(18)22-10-5)12-13(19-7-2)20-8-3/h13H,7-10,12H2,1-5H3
InChI Key:
MSHCBXIJNTVUPW-UHFFFAOYSA-N
SMILES:
CCOC(CC(C(=O)OCC)(C(=O)OCC)CC#C)OCC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.378g/mol
Monoisotopic Mass:
314.173g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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