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89269-57-8 | 2-Propenoic acid, 2-cyano-3-ethoxy-, (tetrahydro-3-furanyl)methyl ester
CAS No: 89269-57-8 Catalog No: AG0041PW MDL No:
Product Description
Catalog Number:
AG0041PW
Chemical Name:
2-Propenoic acid, 2-cyano-3-ethoxy-, (tetrahydro-3-furanyl)methyl ester
CAS Number:
89269-57-8
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
oxolan-3-ylmethyl 2-cyano-3-ethoxyprop-2-enoate
InChI:
InChI=1S/C11H15NO4/c1-2-14-8-10(5-12)11(13)16-7-9-3-4-15-6-9/h8-9H,2-4,6-7H2,1H3
InChI Key:
ZFXXEPBUKAGPQI-UHFFFAOYSA-N
SMILES:
CCOC=C(C(=O)OCC1COCC1)C#N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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