USD $9.00-99.00 / Kilogram
USD $6.00-9.00 / Gram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $100.00-150.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $6.00-10.00 / Kilogram
identification and related records
【name】
4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid
【cas registry number】
51726-83-1
【synonyms】
otava-bb bb0107830116
salor-int l149209-1ea
aurora 17737
chembrdg-bb 5871514
4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid
nsc 210902
otava-bb 0107830116
【molecular formula】
c14h9no3 (products with the same molecular formula)
【molecular weight】
239.23
【inchi】
inchi=1s/c14h9no3/c16-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14(17)18/h1-7h,(h,15,16)(h,17,18)
【canonical smiles】
c1=cc=c2c(=c1)c=cc3=c2nc=c(c3=o)c(=o)o
【mol file】
51726-83-1.mol
chemical and physical properties
【computed properties】
molecular weight:239.22616 [g/mol]
molecular formula:c14h9no3
xlogp3-aa:3.1
h-bond donor:2
h-bond acceptor:4
rotatable bond count:1
tautomer count:4
exact mass:239.058243
monoisotopic mass:239.058243
topological polar surface area:66.4
heavy atom count:18
formal charge:0
complexity:415
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:3
feature 3d donor count:1
feature 3d anion count:2
feature 3d cation count:1
feature 3d ring count:3
effective rotor count:1
conformer sampling rmsd:0.6
cid conformer count:1