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848202-20-0 | 2-Propenoic acid, 3-[7-(dimethylamino)-1,2-dihydro-2-oxo-3-quinolinyl]-
CAS No: 848202-20-0 Catalog No: AG004X3A MDL No:
Product Description
Catalog Number:
AG004X3A
Chemical Name:
2-Propenoic acid, 3-[7-(dimethylamino)-1,2-dihydro-2-oxo-3-quinolinyl]-
CAS Number:
848202-20-0
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
IUPAC Name:
3-[7-(dimethylamino)-2-oxo-1H-quinolin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C14H14N2O3/c1-16(2)11-5-3-9-7-10(4-6-13(17)18)14(19)15-12(9)8-11/h3-8H,1-2H3,(H,15,19)(H,17,18)
InChI Key:
KDJZAVGMMUXPHG-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cc2ccc(cc2[nH]c1=O)N(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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