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64483-77-8 | 2-Butenoic acid, 4-hydroxy-4-(1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)-
CAS No: 64483-77-8 Catalog No: AG00H6V7 MDL No:
Product Description
Catalog Number:
AG00H6V7
Chemical Name:
2-Butenoic acid, 4-hydroxy-4-(1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)-
CAS Number:
64483-77-8
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)but-2-enoic acid
InChI:
InChI=1S/C13H13NO4/c15-11(4-6-13(17)18)9-1-3-10-8(7-9)2-5-12(16)14-10/h1,3-4,6-7,11,15H,2,5H2,(H,14,16)(H,17,18)
InChI Key:
YWTIROMQZPGLRQ-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)C(C=CC(=O)O)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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