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7400-74-0 | METHYL 1,4,4,6,7-PENTAMETHYL-2-OXO-1,2,3,4-TETRAHYDRO-3-QUINOLINECARBOXYLATE
CAS No: 7400-74-0 Catalog No: AG005IJR MDL No:
Product Description
Catalog Number:
AG005IJR
Chemical Name:
METHYL 1,4,4,6,7-PENTAMETHYL-2-OXO-1,2,3,4-TETRAHYDRO-3-QUINOLINECARBOXYLATE
CAS Number:
7400-74-0
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
IUPAC Name:
methyl 1,4,4,6,7-pentamethyl-2-oxo-3H-quinoline-3-carboxylate
InChI:
InChI=1S/C16H21NO3/c1-9-7-11-12(8-10(9)2)17(5)14(18)13(15(19)20-6)16(11,3)4/h7-8,13H,1-6H3
InChI Key:
CUQQRIBPTJIEIC-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(=O)N(C)c2c(C1(C)C)cc(c(c2)C)C
UNII:
91CA48NZ93
NSC Number:
34705
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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