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101884-37-1 | 1,4-Naphthalenedione, 2-(5,6-dihydroxy-1-methyl-1H-indol-3-yl)-
CAS No: 101884-37-1 Catalog No: AG0005UO MDL No:
Product Description
Catalog Number:
AG0005UO
Chemical Name:
1,4-Naphthalenedione, 2-(5,6-dihydroxy-1-methyl-1H-indol-3-yl)-
CAS Number:
101884-37-1
Molecular Formula:
C19H13NO4
Molecular Weight:
319.3108
IUPAC Name:
2-(5,6-dihydroxy-1-methylindol-3-yl)naphthalene-1,4-dione
InChI:
InChI=1S/C19H13NO4/c1-20-9-14(12-6-17(22)18(23)8-15(12)20)13-7-16(21)10-4-2-3-5-11(10)19(13)24/h2-9,22-23H,1H3
InChI Key:
KHIUXIQTFHYWKX-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C=C1c1cn(c2c1cc(O)c(c2)O)C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.316g/mol
Monoisotopic Mass:
319.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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