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124730-53-6 | 4H-Pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid, 5,6-dihydro-, ethyl ester
CAS No: 124730-53-6 Catalog No: AG000MO5 MDL No:MFCD11041323
Product Description
Catalog Number:
AG000MO5
Chemical Name:
4H-Pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid, 5,6-dihydro-, ethyl ester
CAS Number:
124730-53-6
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD11041323
IUPAC Name:
ethyl 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxylate
InChI:
InChI=1S/C14H15NO2/c1-2-17-14(16)12-9-15-8-4-6-10-5-3-7-11(12)13(10)15/h3,5,7,9H,2,4,6,8H2,1H3
InChI Key:
QWYWUGSDJVIVBY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn2c3c1cccc3CCC2
Properties
Complexity:
305
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:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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