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Home > Pyridines > 900014-96-2
900014-96-2 | 6-(2H-1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carbonitrile
CAS No: 900014-96-2 Catalog No: AG00IPUF MDL No:MFCD07021395
Product Description
Catalog Number:
AG00IPUF
Chemical Name:
6-(2H-1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carbonitrile
CAS Number:
900014-96-2
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
MDL Number:
MFCD07021395
IUPAC Name:
6-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carbonitrile
InChI:
InChI=1S/C15H12N2O3/c1-2-18-15-11(8-16)3-5-12(17-15)10-4-6-13-14(7-10)20-9-19-13/h3-7H,2,9H2,1H3
InChI Key:
BIRDCQXVPIBBMM-UHFFFAOYSA-N
SMILES:
CCOc1nc(ccc1C#N)c1ccc2c(c1)OCO2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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