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288309-10-4 | Ethanone, 1-(7-isoquinolinyl)- (9CI)
CAS No: 288309-10-4 Catalog No: AG00BJHO MDL No:MFCD12406181
Product Description
Catalog Number:
AG00BJHO
Chemical Name:
Ethanone, 1-(7-isoquinolinyl)- (9CI)
CAS Number:
288309-10-4
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD12406181
IUPAC Name:
1-isoquinolin-7-ylethanone
InChI:
InChI=1S/C11H9NO/c1-8(13)10-3-2-9-4-5-12-7-11(9)6-10/h2-7H,1H3
InChI Key:
JMCKWJWFUUFXDL-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)cncc2
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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