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1015070-54-8 | 1-(isoquinolin-6-yl)ethanone
CAS No: 1015070-54-8 Catalog No: AG0096I8 MDL No:MFCD12406161
Product Description
Catalog Number:
AG0096I8
Chemical Name:
1-(isoquinolin-6-yl)ethanone
CAS Number:
1015070-54-8
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD12406161
IUPAC Name:
1-isoquinolin-6-ylethanone
InChI:
InChI=1S/C11H9NO/c1-8(13)9-2-3-11-7-12-5-4-10(11)6-9/h2-7H,1H3
InChI Key:
BKFUTIVUUBJCIS-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)ccnc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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