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Home > Pyridines > 1610379-65-1
1610379-65-1 | ethyl (2Z)-2-cyano-3-{4-[(pyridin-3-yl)methoxy]phenyl}prop-2-enoate
CAS No: 1610379-65-1 Catalog No: AG00IS7N MDL No:MFCD28016104
Product Description
Catalog Number:
AG00IS7N
Chemical Name:
ethyl (2Z)-2-cyano-3-{4-[(pyridin-3-yl)methoxy]phenyl}prop-2-enoate
CAS Number:
1610379-65-1
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
MDL Number:
MFCD28016104
IUPAC Name:
ethyl 2-cyano-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoate
InChI:
InChI=1S/C18H16N2O3/c1-2-22-18(21)16(11-19)10-14-5-7-17(8-6-14)23-13-15-4-3-9-20-12-15/h3-10,12H,2,13H2,1H3
InChI Key:
UUDCJUAPZHLWTA-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C\c1ccc(cc1)OCc1cccnc1)/C#N
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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