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144479-94-7 | 4(1H)-Isoquinolinone, 2,3-dihydro-2-propyl-, hydrochloride (1:1)
CAS No: 144479-94-7 Catalog No: AG001JLP MDL No:
Product Description
Catalog Number:
AG001JLP
Chemical Name:
4(1H)-Isoquinolinone, 2,3-dihydro-2-propyl-, hydrochloride (1:1)
CAS Number:
144479-94-7
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
IUPAC Name:
2-propyl-1,3-dihydroisoquinolin-4-one;hydrochloride
InChI:
InChI=1S/C12H15NO.ClH/c1-2-7-13-8-10-5-3-4-6-11(10)12(14)9-13;/h3-6H,2,7-9H2,1H3;1H
InChI Key:
BSXKMBXYQRSODR-UHFFFAOYSA-N
SMILES:
CCCN1CC(=O)c2c(C1)cccc2.Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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