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2060035-46-1

2060035-46-1 | 3-methyl-5,6,7,8-tetrahydroisoquinolin-8-one hydrochloride

CAS No: 2060035-46-1 Catalog No: AG01BXU2 MDL No:MFCD30488030

Product Description

Catalog Number:
AG01BXU2
Chemical Name:
3-methyl-5,6,7,8-tetrahydroisoquinolin-8-one hydrochloride
CAS Number:
2060035-46-1
Molecular Formula:
C10H12ClNO
Molecular Weight:
197.6614
MDL Number:
MFCD30488030
IUPAC Name:
3-methyl-6,7-dihydro-5H-isoquinolin-8-one;hydrochloride
InChI:
InChI=1S/C10H11NO.ClH/c1-7-5-8-3-2-4-10(12)9(8)6-11-7;/h5-6H,2-4H2,1H3;1H
InChI Key:
XCBARTVPLSYEML-UHFFFAOYSA-N
SMILES:
Cc1ncc2c(c1)CCCC2=O.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:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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