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123811-87-0 | 1,2(2H)-Quinolinedicarboxylic acid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester
CAS No: 123811-87-0 Catalog No: AG000L4E MDL No:MFCD04115277
Product Description
Catalog Number:
AG000L4E
Chemical Name:
1,2(2H)-Quinolinedicarboxylic acid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester
CAS Number:
123811-87-0
Molecular Formula:
C15H18NO4-
Molecular Weight:
276.3077
MDL Number:
MFCD04115277
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
InChI:
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-11-7-5-4-6-10(11)8-9-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChI Key:
NGYOAZMYTIAOTI-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CCc2c(N1C(=O)OC(C)(C)C)cccc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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