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89269-51-2 | 2-Propenoic acid, 2-cyano-3-ethoxy-, 2-propoxyethyl ester
CAS No: 89269-51-2 Catalog No: AG0041CB MDL No:
Product Description
Catalog Number:
AG0041CB
Chemical Name:
2-Propenoic acid, 2-cyano-3-ethoxy-, 2-propoxyethyl ester
CAS Number:
89269-51-2
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
IUPAC Name:
2-propoxyethyl 2-cyano-3-ethoxyprop-2-enoate
InChI:
InChI=1S/C11H17NO4/c1-3-5-15-6-7-16-11(13)10(8-12)9-14-4-2/h9H,3-7H2,1-2H3
InChI Key:
MGQQHYMNRZZAHP-UHFFFAOYSA-N
SMILES:
CCCOCCOC(=O)C(=COCC)C#N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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