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20232-39-7 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS No: 20232-39-7 Catalog No: AG002864 MDL No:MFCD00143492
Product Description
Catalog Number:
AG002864
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS Number:
20232-39-7
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD00143492
IUPAC Name:
6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-7H,3-4H2,1-2H3;1H
InChI Key:
PQXVEYYRJHMTEV-UHFFFAOYSA-N
SMILES:
COc1cc2C=NCCc2cc1OC.Cl
EC Number:
606-469-3
NSC Number:
216069
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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