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93549-15-6 | 3,4-Dihydro-6-methoxyisoquinoline hydrochloride
CAS No: 93549-15-6 Catalog No: AG00GR8O MDL No:
Product Description
Catalog Number:
AG00GR8O
Chemical Name:
3,4-Dihydro-6-methoxyisoquinoline hydrochloride
CAS Number:
93549-15-6
Molecular Formula:
C10H12ClNO
Molecular Weight:
197.6614
IUPAC Name:
6-methoxy-3,4-dihydroisoquinoline;hydrochloride
InChI:
InChI=1S/C10H11NO.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-3,6-7H,4-5H2,1H3;1H
InChI Key:
GXXXMVHTKNCLFL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCN=C2.Cl
Properties
Complexity:
179
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:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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