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54415-44-0 | 1-(isoquinolin-5-yl)ethanone
CAS No: 54415-44-0 Catalog No: AG00DJ9Y MDL No:MFCD10699237
Product Description
Catalog Number:
AG00DJ9Y
Chemical Name:
1-(isoquinolin-5-yl)ethanone
CAS Number:
54415-44-0
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD10699237
IUPAC Name:
1-isoquinolin-5-ylethanone
InChI:
InChI=1S/C11H9NO/c1-8(13)10-4-2-3-9-7-12-6-5-11(9)10/h2-7H,1H3
InChI Key:
NPBRCLXBIDDEHK-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1ccnc2
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:
1.8
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