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1187163-50-3 | Ethyl 5-(4-isoquinolyl)-2-furoate
CAS No: 1187163-50-3 Catalog No: AG01FEBB MDL No:
Product Description
Catalog Number:
AG01FEBB
Chemical Name:
Ethyl 5-(4-isoquinolyl)-2-furoate
CAS Number:
1187163-50-3
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
ethyl 5-isoquinolin-4-ylfuran-2-carboxylate
InChI:
InChI=1S/C16H13NO3/c1-2-19-16(18)15-8-7-14(20-15)13-10-17-9-11-5-3-4-6-12(11)13/h3-10H,2H2,1H3
InChI Key:
JFBSBPLDOBRMKN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(o1)c1cncc2c1cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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