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76992-75-1 | Isoquinoline, 1,2,3,4-tetrahydro-5,7-dimethoxy-2-methyl-, hydrochloride
CAS No: 76992-75-1 Catalog No: AG008OC7 MDL No:
Product Description
Catalog Number:
AG008OC7
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5,7-dimethoxy-2-methyl-, hydrochloride
CAS Number:
76992-75-1
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
IUPAC Name:
5,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-13-5-4-11-9(8-13)6-10(14-2)7-12(11)15-3;/h6-7H,4-5,8H2,1-3H3;1H
InChI Key:
NEVKTKIBYYBXPN-UHFFFAOYSA-N
SMILES:
COc1cc2CN(C)CCc2c(c1)OC.Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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