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13001-20-2 | Propanedioic acid, 2-(3-ethoxy-2-methyl-2-propen-1-ylidene)-, 1,3-diethyl ester
CAS No: 13001-20-2 Catalog No: AG000TWR MDL No:
Product Description
Catalog Number:
AG000TWR
Chemical Name:
Propanedioic acid, 2-(3-ethoxy-2-methyl-2-propen-1-ylidene)-, 1,3-diethyl ester
CAS Number:
13001-20-2
Molecular Formula:
C13H20O5
Molecular Weight:
256.2949
IUPAC Name:
diethyl 2-(3-ethoxy-2-methylprop-2-enylidene)propanedioate
InChI:
InChI=1S/C13H20O5/c1-5-16-9-10(4)8-11(12(14)17-6-2)13(15)18-7-3/h8-9H,5-7H2,1-4H3
InChI Key:
RJXIGOHHCYSGKG-UHFFFAOYSA-N
SMILES:
CCOC=C(C=C(C(=O)OCC)C(=O)OCC)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.298g/mol
Monoisotopic Mass:
256.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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