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124730-56-9 | 4H-Pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid, 5,6-dihydro-
CAS No: 124730-56-9 Catalog No: AG000MO4 MDL No:MFCD11617121
Product Description
Catalog Number:
AG000MO4
Chemical Name:
4H-Pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid, 5,6-dihydro-
CAS Number:
124730-56-9
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD11617121
IUPAC Name:
1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c14-12(15)10-7-13-6-2-4-8-3-1-5-9(10)11(8)13/h1,3,5,7H,2,4,6H2,(H,14,15)
InChI Key:
MRXVBECVIDBEOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn2c3c1cccc3CCC2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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