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915865-96-2 | 6-Methoxyisoquinoline hydrochloride
CAS No: 915865-96-2 Catalog No: AG003N9U MDL No:MFCD12546534
Product Description
Catalog Number:
AG003N9U
Chemical Name:
6-Methoxyisoquinoline hydrochloride
CAS Number:
915865-96-2
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
MDL Number:
MFCD12546534
IUPAC Name:
6-methoxyisoquinoline;hydrochloride
InChI:
InChI=1S/C10H9NO.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-7H,1H3;1H
InChI Key:
MHJDVDRMCCCPHE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccnc2.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.646g/mol
Monoisotopic Mass:
195.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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