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98237-23-1 | Isoquinoline, 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-
CAS No: 98237-23-1 Catalog No: AG006SXY MDL No:
Product Description
Catalog Number:
AG006SXY
Chemical Name:
Isoquinoline, 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-
CAS Number:
98237-23-1
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline
InChI:
InChI=1S/C17H17NO2/c1-2-4-14-13(3-1)7-8-18-15(14)9-12-5-6-16-17(10-12)20-11-19-16/h5-8,10H,1-4,9,11H2
InChI Key:
LOCUZPUCTRTGLS-UHFFFAOYSA-N
SMILES:
C1CCc2c(C1)c(ncc2)Cc1ccc2c(c1)OCO2
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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