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130561-18-1 | 3-Cinnolinecarboxylic acid, 1-(4-chlorophenyl)-1,4-dihydro-4-oxo-5-propoxy-
CAS No: 130561-18-1 Catalog No: AG000UMA MDL No:
Product Description
Catalog Number:
AG000UMA
Chemical Name:
3-Cinnolinecarboxylic acid, 1-(4-chlorophenyl)-1,4-dihydro-4-oxo-5-propoxy-
CAS Number:
130561-18-1
Molecular Formula:
C18H15ClN2O4
Molecular Weight:
358.7757
IUPAC Name:
1-(4-chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid
InChI:
InChI=1S/C18H15ClN2O4/c1-2-10-25-14-5-3-4-13-15(14)17(22)16(18(23)24)20-21(13)12-8-6-11(19)7-9-12/h3-9H,2,10H2,1H3,(H,23,24)
InChI Key:
VFYQJNIDOUTUCX-UHFFFAOYSA-N
SMILES:
CCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.072g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.778g/mol
Monoisotopic Mass:
358.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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