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1119452-93-5 | N-methyl-N-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]glycine
CAS No: 1119452-93-5 Catalog No: AG00J6HA MDL No:MFCD12027221
Product Description
Catalog Number:
AG00J6HA
Chemical Name:
N-methyl-N-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]glycine
CAS Number:
1119452-93-5
Molecular Formula:
C12H14N2O5S
Molecular Weight:
298.3150
MDL Number:
MFCD12027221
IUPAC Name:
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetic acid
InChI:
InChI=1S/C12H14N2O5S/c1-14(7-12(16)17)20(18,19)9-3-4-10-8(6-9)2-5-11(15)13-10/h3-4,6H,2,5,7H2,1H3,(H,13,15)(H,16,17)
InChI Key:
SDGVGTAZQNSMND-UHFFFAOYSA-N
SMILES:
OC(=O)CN(S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.313g/mol
Monoisotopic Mass:
298.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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