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81963-07-7 | 8-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID
CAS No: 81963-07-7 Catalog No: AG005GAM MDL No:
Product Description
Catalog Number:
AG005GAM
Chemical Name:
8-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID
CAS Number:
81963-07-7
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c1-6-3-2-4-7-5-8(11(14)15)10(13)12-9(6)7/h2-5H,1H3,(H,12,13)(H,14,15)
InChI Key:
LPDAGTNGXYMBLZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2cccc(c2[nH]c1=O)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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