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1243175-48-5 | 3H-Cyclopenta[c]quinoline-4-carboxylic acid, 8-acetyl-3a,4,5,9b-tetrahydro-, ethyl ester, (3aR,4S,9bS)-rel-
CAS No: 1243175-48-5 Catalog No: AG000LUD MDL No:MFCD22385058
Product Description
Catalog Number:
AG000LUD
Chemical Name:
3H-Cyclopenta[c]quinoline-4-carboxylic acid, 8-acetyl-3a,4,5,9b-tetrahydro-, ethyl ester, (3aR,4S,9bS)-rel-
CAS Number:
1243175-48-5
Molecular Formula:
C17H19NO3
Molecular Weight:
285.3377
MDL Number:
MFCD22385058
IUPAC Name:
ethyl (3aR,4S,9bS)-8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
InChI:
InChI=1S/C17H19NO3/c1-3-21-17(20)16-13-6-4-5-12(13)14-9-11(10(2)19)7-8-15(14)18-16/h4-5,7-9,12-13,16,18H,3,6H2,1-2H3/t12-,13+,16-/m0/s1
InChI Key:
UBWUFNYNGFDLEH-ZENOOKHLSA-N
SMILES:
CCOC(=O)[C@H]1Nc2ccc(cc2[C@@H]2[C@H]1CC=C2)C(=O)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
285.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.343g/mol
Monoisotopic Mass:
285.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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