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1099636-32-4 | Ethyl 3-(2-cyano-phenoxy)propanoate
CAS No: 1099636-32-4 Catalog No: AG01FDPW MDL No:
Product Description
Catalog Number:
AG01FDPW
Chemical Name:
Ethyl 3-(2-cyano-phenoxy)propanoate
CAS Number:
1099636-32-4
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
ethyl 3-(2-cyanophenoxy)propanoate
InChI:
InChI=1S/C12H13NO3/c1-2-15-12(14)7-8-16-11-6-4-3-5-10(11)9-13/h3-6H,2,7-8H2,1H3
InChI Key:
NJOQUFMMJGCIOL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1ccccc1C#N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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