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163271-99-6 | Propanedioic acid, 2-(1-methoxy-2-propen-1-yl)-2-methyl-, 1,3-diethyl ester
CAS No: 163271-99-6 Catalog No: AG001TYM MDL No:
Product Description
Catalog Number:
AG001TYM
Chemical Name:
Propanedioic acid, 2-(1-methoxy-2-propen-1-yl)-2-methyl-, 1,3-diethyl ester
CAS Number:
163271-99-6
Molecular Formula:
C12H20O5
Molecular Weight:
244.2842
IUPAC Name:
diethyl 2-(1-methoxyprop-2-enyl)-2-methylpropanedioate
InChI:
InChI=1S/C12H20O5/c1-6-9(15-5)12(4,10(13)16-7-2)11(14)17-8-3/h6,9H,1,7-8H2,2-5H3
InChI Key:
PIADVPBBZAOCJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(C(C=C)OC)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.287g/mol
Monoisotopic Mass:
244.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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