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1418117-87-9 | Isoquinoline, 5-methoxy-, hydrochloride (1:1)
CAS No: 1418117-87-9 Catalog No: AG001H7W MDL No:MFCD22683320
Product Description
Catalog Number:
AG001H7W
Chemical Name:
Isoquinoline, 5-methoxy-, hydrochloride (1:1)
CAS Number:
1418117-87-9
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
MDL Number:
MFCD22683320
IUPAC Name:
5-methoxyisoquinoline;hydrochloride
InChI:
InChI=1S/C10H9NO.ClH/c1-12-10-4-2-3-8-7-11-6-5-9(8)10;/h2-7H,1H3;1H
InChI Key:
UPNRQLNODDALDG-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ccnc2.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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