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114273-40-4 | Isoquinoline, 4-(2-furanylmethyl)-
CAS No: 114273-40-4 Catalog No: AG000AXW MDL No:
Product Description
Catalog Number:
AG000AXW
Chemical Name:
Isoquinoline, 4-(2-furanylmethyl)-
CAS Number:
114273-40-4
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
IUPAC Name:
4-(furan-2-ylmethyl)isoquinoline
InChI:
InChI=1S/C14H11NO/c1-2-6-14-11(4-1)9-15-10-12(14)8-13-5-3-7-16-13/h1-7,9-10H,8H2
InChI Key:
YFFXRSPORHIBHL-UHFFFAOYSA-N
SMILES:
c1coc(c1)Cc1cncc2c1cccc2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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