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20458-78-0 | 4(1H)-Isoquinolinone, 2,3-dihydro-2-Methyl-, hydrochloride
CAS No: 20458-78-0 Catalog No: AG00BW3G MDL No:MFCD29920460
Product Description
Catalog Number:
AG00BW3G
Chemical Name:
4(1H)-Isoquinolinone, 2,3-dihydro-2-Methyl-, hydrochloride
CAS Number:
20458-78-0
Molecular Formula:
C10H12ClNO
Molecular Weight:
197.6614
MDL Number:
MFCD29920460
IUPAC Name:
2-methyl-1,3-dihydroisoquinolin-4-one;hydrochloride
InChI:
InChI=1S/C10H11NO.ClH/c1-11-6-8-4-2-3-5-9(8)10(12)7-11;/h2-5H,6-7H2,1H3;1H
InChI Key:
PLEIDJJHEZAXDE-UHFFFAOYSA-N
SMILES:
CN1CC(=O)c2c(C1)cccc2.Cl
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.662g/mol
Monoisotopic Mass:
197.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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