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53014-97-4 | Isoquinoline, 1-Methyl-, hydrochloride
CAS No: 53014-97-4 Catalog No: AG00E2QZ MDL No:
Product Description
Catalog Number:
AG00E2QZ
Chemical Name:
Isoquinoline, 1-Methyl-, hydrochloride
CAS Number:
53014-97-4
IUPAC Name:
1-methylisoquinoline;hydrochloride
InChI:
InChI=1S/C10H9N.ClH/c1-8-10-5-3-2-4-9(10)6-7-11-8;/h2-7H,1H3;1H
InChI Key:
TWLLAHRVSOTNGE-UHFFFAOYSA-N
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.647g/mol
Monoisotopic Mass:
179.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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