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143261-75-0 | Isoquinoline, 2-acetyl-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (R)-
CAS No: 143261-75-0 Catalog No: AG007K9F MDL No:
Product Description
Catalog Number:
AG007K9F
Chemical Name:
Isoquinoline, 2-acetyl-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (R)-
CAS Number:
143261-75-0
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
1-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
InChI:
InChI=1S/C14H19NO3/c1-9-12-8-14(18-4)13(17-3)7-11(12)5-6-15(9)10(2)16/h7-9H,5-6H2,1-4H3/t9-/m1/s1
InChI Key:
GGONZGHKXHEOPW-SECBINFHSA-N
SMILES:
COc1cc2c(cc1OC)CCN([C@@H]2C)C(=O)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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