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4973-61-9 | Isoquinoline, 1,2,3,4-tetrahydro-6,7,8-trimethoxy-1,2-dimethyl-, (S)-
CAS No: 4973-61-9 Catalog No: AG006YAS MDL No:
Product Description
Catalog Number:
AG006YAS
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7,8-trimethoxy-1,2-dimethyl-, (S)-
CAS Number:
4973-61-9
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
(1S)-6,7,8-trimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C14H21NO3/c1-9-12-10(6-7-15(9)2)8-11(16-3)13(17-4)14(12)18-5/h8-9H,6-7H2,1-5H3/t9-/m0/s1
InChI Key:
SDLPOZWCCRGUOA-VIFPVBQESA-N
SMILES:
COc1c(OC)c(OC)cc2c1[C@H](C)N(CC2)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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