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166246-74-8 | Carbamic acid, N-[(3S)-1,2,3,4-tetrahydro-2-oxo-3-quinolinyl]-, 1,1-dimethylethyl ester
CAS No: 166246-74-8 Catalog No: AG001WLH MDL No:
Product Description
Catalog Number:
AG001WLH
Chemical Name:
Carbamic acid, N-[(3S)-1,2,3,4-tetrahydro-2-oxo-3-quinolinyl]-, 1,1-dimethylethyl ester
CAS Number:
166246-74-8
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
IUPAC Name:
tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
InChI:
InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-11-8-9-6-4-5-7-10(9)15-12(11)17/h4-7,11H,8H2,1-3H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChI Key:
FKDQTOFAIYTQQY-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1Cc2ccccc2NC1=O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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