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89269-55-6 | 2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester
CAS No: 89269-55-6 Catalog No: AG0041PX MDL No:
Product Description
Catalog Number:
AG0041PX
Chemical Name:
2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester
CAS Number:
89269-55-6
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
IUPAC Name:
3-ethoxypropyl 2-cyano-3-ethoxyprop-2-enoate
InChI:
InChI=1S/C11H17NO4/c1-3-14-6-5-7-16-11(13)10(8-12)9-15-4-2/h9H,3-7H2,1-2H3
InChI Key:
IAFAGQUWUWOUOE-UHFFFAOYSA-N
SMILES:
CCOCCCOC(=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:
1.2
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