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10088-99-0 | Benzo[g]quinoline-2-carboxylic acid, 7-butyl-5,10-dihydro-3,4,9-trihydroxy-8-methoxy-5,10-dioxo-
CAS No: 10088-99-0 Catalog No: AG00033K MDL No:
Product Description
Catalog Number:
AG00033K
Chemical Name:
Benzo[g]quinoline-2-carboxylic acid, 7-butyl-5,10-dihydro-3,4,9-trihydroxy-8-methoxy-5,10-dioxo-
CAS Number:
10088-99-0
Molecular Formula:
C19H17NO8
Molecular Weight:
387.3402
IUPAC Name:
7-butyl-3,9-dihydroxy-8-methoxy-4,5,10-trioxo-1H-benzo[g]quinoline-2-carboxylic acid
InChI:
InChI=1S/C19H17NO8/c1-3-4-5-7-6-8-9(16(24)18(7)28-2)14(22)11-10(13(8)21)15(23)17(25)12(20-11)19(26)27/h6,24-25H,3-5H2,1-2H3,(H,20,23)(H,26,27)
InChI Key:
CUHZLAUIDJFSII-UHFFFAOYSA-N
SMILES:
CCCCc1cc2c(c(c1OC)O)C(=O)c1c(C2=O)c(O)c(c(n1)C(=O)O)O
Properties
Complexity:
811
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.095g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
387.344g/mol
Monoisotopic Mass:
387.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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