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96567-31-6 | Pyrrolo[2,1-a]isoquinoline, 5,6-dihydro-8,9-dimethoxy-
CAS No: 96567-31-6 Catalog No: AG005TNR MDL No:
Product Description
Catalog Number:
AG005TNR
Chemical Name:
Pyrrolo[2,1-a]isoquinoline, 5,6-dihydro-8,9-dimethoxy-
CAS Number:
96567-31-6
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline
InChI:
InChI=1S/C14H15NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h3-4,6,8-9H,5,7H2,1-2H3
InChI Key:
YVIKSMDLBYCTHL-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCn1c2ccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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