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123387-75-7 | 1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-8-methyl-, 1,1-dimethylethyl ester
CAS No: 123387-75-7 Catalog No: AG000KHP MDL No:
Product Description
Catalog Number:
AG000KHP
Chemical Name:
1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-8-methyl-, 1,1-dimethylethyl ester
CAS Number:
123387-75-7
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
tert-butyl 8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
InChI:
InChI=1S/C15H21NO2/c1-11-7-5-8-12-9-6-10-16(13(11)12)14(17)18-15(2,3)4/h5,7-8H,6,9-10H2,1-4H3
InChI Key:
WOYXFKBKBCLJRP-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1c(C)ccc2)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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