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103441-65-2 | 7,8-Dihydroisoquinolin-5(6H)-one hydrochloride
CAS No: 103441-65-2 Catalog No: AG007GIR MDL No:MFCD18384593
Product Description
Catalog Number:
AG007GIR
Chemical Name:
7,8-Dihydroisoquinolin-5(6H)-one hydrochloride
CAS Number:
103441-65-2
Molecular Formula:
C9H10ClNO
Molecular Weight:
183.6348
MDL Number:
MFCD18384593
IUPAC Name:
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
InChI:
InChI=1S/C9H9NO.ClH/c11-9-3-1-2-7-6-10-5-4-8(7)9;/h4-6H,1-3H2;1H
InChI Key:
XIFLOZYAKQKYHN-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1ccnc2.Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.635g/mol
Monoisotopic Mass:
183.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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