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101382-57-4 | 2-Propenoic acid, 3-(1,2-dihydro-2-oxo-3-quinolinyl)-
CAS No: 101382-57-4 Catalog No: AG0004CU MDL No:
Product Description
Catalog Number:
AG0004CU
Chemical Name:
2-Propenoic acid, 3-(1,2-dihydro-2-oxo-3-quinolinyl)-
CAS Number:
101382-57-4
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
IUPAC Name:
3-(2-oxo-1H-quinolin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H9NO3/c14-11(15)6-5-9-7-8-3-1-2-4-10(8)13-12(9)16/h1-7H,(H,13,16)(H,14,15)
InChI Key:
OURWGONIRUVXGY-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cc2ccccc2[nH]c1=O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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