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116097-90-6 | Propanoic acid, 2-cyano-3,3-diethoxy-, ethyl ester
CAS No: 116097-90-6 Catalog No: AG000BN0 MDL No:
Product Description
Catalog Number:
AG000BN0
Chemical Name:
Propanoic acid, 2-cyano-3,3-diethoxy-, ethyl ester
CAS Number:
116097-90-6
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
IUPAC Name:
ethyl 2-cyano-3,3-diethoxypropanoate
InChI:
InChI=1S/C10H17NO4/c1-4-13-9(12)8(7-11)10(14-5-2)15-6-3/h8,10H,4-6H2,1-3H3
InChI Key:
MURYODNHHCIULJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(OCC)OCC)C#N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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