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180461-39-6 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-3,3-dimethyl-1-(2-propen-1-yl)-
CAS No: 180461-39-6 Catalog No: AG002209 MDL No:
Product Description
Catalog Number:
AG002209
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-3,3-dimethyl-1-(2-propen-1-yl)-
CAS Number:
180461-39-6
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
6,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C16H23NO2/c1-6-7-13-12-9-15(19-5)14(18-4)8-11(12)10-16(2,3)17-13/h6,8-9,13,17H,1,7,10H2,2-5H3
InChI Key:
GDPIAGJDWHVOJK-UHFFFAOYSA-N
SMILES:
C=CCC1NC(C)(C)Cc2c1cc(OC)c(c2)OC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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