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Home > Quinoline > 113417-34-8
113417-34-8 | Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-5,5-dimethyl-
CAS No: 113417-34-8 Catalog No: AG0008IX MDL No:
Product Description
Catalog Number:
AG0008IX
Chemical Name:
Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-5,5-dimethyl-
CAS Number:
113417-34-8
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
5,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-2,3-dione
InChI:
InChI=1S/C14H13NO2/c1-14(2)8-9-5-3-4-6-10(9)11-7-12(16)13(17)15(11)14/h3-7H,8H2,1-2H3
InChI Key:
OLXYPWURGPMTCH-UHFFFAOYSA-N
SMILES:
O=C1C=C2N(C1=O)C(C)(C)Cc1c2cccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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