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40570-74-9 | Ethanone, 1-(4-isoquinolinyl)-
CAS No: 40570-74-9 Catalog No: AG0076HO MDL No:MFCD10699236
Product Description
Catalog Number:
AG0076HO
Chemical Name:
Ethanone, 1-(4-isoquinolinyl)-
CAS Number:
40570-74-9
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD10699236
IUPAC Name:
1-isoquinolin-4-ylethanone
InChI:
InChI=1S/C11H9NO/c1-8(13)11-7-12-6-9-4-2-3-5-10(9)11/h2-7H,1H3
InChI Key:
XLJRDBSCZSXFNM-UHFFFAOYSA-N
SMILES:
CC(=O)c1cncc2c1cccc2
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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