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87664-46-8 | Pyrrolo[1,2-b]isoquinoline, 1,2,3,5,10,10a-hexahydro-8,9-dimethoxy-
CAS No: 87664-46-8 Catalog No: AG004O0M MDL No:
Product Description
Catalog Number:
AG004O0M
Chemical Name:
Pyrrolo[1,2-b]isoquinoline, 1,2,3,5,10,10a-hexahydro-8,9-dimethoxy-
CAS Number:
87664-46-8
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
8,9-dimethoxy-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline
InChI:
InChI=1S/C14H19NO2/c1-16-13-6-5-10-9-15-7-3-4-11(15)8-12(10)14(13)17-2/h5-6,11H,3-4,7-9H2,1-2H3
InChI Key:
XUNSOEYHNBQSIU-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc2c1CC1CCCN1C2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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