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303796-69-2 | 4-oxo-4-(1,2,3,4-tetrahydroquinolin-1-yl)but-2-enoic acid
CAS No: 303796-69-2 Catalog No: AG019GHM MDL No:MFCD00523066
Product Description
Catalog Number:
AG019GHM
Chemical Name:
4-oxo-4-(1,2,3,4-tetrahydroquinolin-1-yl)but-2-enoic acid
CAS Number:
303796-69-2
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD00523066
IUPAC Name:
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C13H13NO3/c15-12(7-8-13(16)17)14-9-3-5-10-4-1-2-6-11(10)14/h1-2,4,6-8H,3,5,9H2,(H,16,17)
InChI Key:
CBGATFOXQAAEQZ-UHFFFAOYSA-N
SMILES:
OC(=O)C=CC(=O)N1CCCc2c1cccc2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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