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877037-94-0 | 5(1H)-Isoquinolinone, 2,3,4,6,7,8-hexahydro-2-methyl-
CAS No: 877037-94-0 Catalog No: AG004GL2 MDL No:
Product Description
Catalog Number:
AG004GL2
Chemical Name:
5(1H)-Isoquinolinone, 2,3,4,6,7,8-hexahydro-2-methyl-
CAS Number:
877037-94-0
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
2-methyl-1,3,4,6,7,8-hexahydroisoquinolin-5-one
InChI:
InChI=1S/C10H15NO/c1-11-6-5-9-8(7-11)3-2-4-10(9)12/h2-7H2,1H3
InChI Key:
TYXXNPADSCAQJJ-UHFFFAOYSA-N
SMILES:
CN1CCC2=C(C1)CCCC2=O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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