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123387-53-1 | 1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester
CAS No: 123387-53-1 Catalog No: AG000KHU MDL No:MFCD19684135
Product Description
Catalog Number:
AG000KHU
Chemical Name:
1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester
CAS Number:
123387-53-1
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
MDL Number:
MFCD19684135
IUPAC Name:
tert-butyl 3,4-dihydro-2H-quinoline-1-carboxylate
InChI:
InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-10-6-8-11-7-4-5-9-12(11)15/h4-5,7,9H,6,8,10H2,1-3H3
InChI Key:
GVSRWAIRQCMAHG-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1cccc2)OC(C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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