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18326-86-8 | 4H-Pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid, 5,6-dihydro-2-methyl-, ethyl ester
CAS No: 18326-86-8 Catalog No: AG0027G7 MDL No:
Product Description
Catalog Number:
AG0027G7
Chemical Name:
4H-Pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid, 5,6-dihydro-2-methyl-, ethyl ester
CAS Number:
18326-86-8
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
ethyl 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxylate
InChI:
InChI=1S/C15H17NO2/c1-3-18-15(17)13-10(2)16-9-5-7-11-6-4-8-12(13)14(11)16/h4,6,8H,3,5,7,9H2,1-2H3
InChI Key:
BNWVLQSBISKRER-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)n2c3c1cccc3CCC2
NSC Number:
134588
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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