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87698-32-6 | 4-Pentenoic acid, 2-cyano-5-ethoxy-, ethyl ester, (E)-
CAS No: 87698-32-6 Catalog No: AG004NCU MDL No:
Product Description
Catalog Number:
AG004NCU
Chemical Name:
4-Pentenoic acid, 2-cyano-5-ethoxy-, ethyl ester, (E)-
CAS Number:
87698-32-6
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
ethyl 2-cyano-5-ethoxypent-4-enoate
InChI:
InChI=1S/C10H15NO3/c1-3-13-7-5-6-9(8-11)10(12)14-4-2/h5,7,9H,3-4,6H2,1-2H3
InChI Key:
RIYZOWLIBGSOSR-UHFFFAOYSA-N
SMILES:
CCO/C=C/CC(C(=O)OCC)C#N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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