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75690-07-2 | 6,8(2H,7H)-Isoquinolinedione, hexahydro-2-methyl-, hydrochloride
CAS No: 75690-07-2 Catalog No: AG005AI2 MDL No:
Product Description
Catalog Number:
AG005AI2
Chemical Name:
6,8(2H,7H)-Isoquinolinedione, hexahydro-2-methyl-, hydrochloride
CAS Number:
75690-07-2
Molecular Formula:
C10H16ClNO2
Molecular Weight:
217.6925
IUPAC Name:
2-methyl-1,3,4,4a,5,8a-hexahydroisoquinoline-6,8-dione;hydrochloride
InChI:
InChI=1S/C10H15NO2.ClH/c1-11-3-2-7-4-8(12)5-10(13)9(7)6-11;/h7,9H,2-6H2,1H3;1H
InChI Key:
GWJZOMSDKLRYDW-UHFFFAOYSA-N
SMILES:
CN1CCC2C(C1)C(=O)CC(=O)C2.Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.693g/mol
Monoisotopic Mass:
217.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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