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Home > Indoles and Oxindole > 123973-75-1
123973-75-1 | 1,4-Naphthalenedione, 2-(2-methyl-1H-indol-3-yl)-
CAS No: 123973-75-1 Catalog No: AG000LBM MDL No:MFCD03787217
Product Description
Catalog Number:
AG000LBM
Chemical Name:
1,4-Naphthalenedione, 2-(2-methyl-1H-indol-3-yl)-
CAS Number:
123973-75-1
Molecular Formula:
C19H13NO2
Molecular Weight:
287.3120
MDL Number:
MFCD03787217
IUPAC Name:
2-(2-methyl-1H-indol-3-yl)naphthalene-1,4-dione
InChI:
InChI=1S/C19H13NO2/c1-11-18(14-8-4-5-9-16(14)20-11)15-10-17(21)12-6-2-3-7-13(12)19(15)22/h2-10,20H,1H3
InChI Key:
WUJQCQKYMKWDSU-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(=O)c2c1cccc2)c1c(C)[nH]c2c1cccc2
NSC Number:
106243
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.318g/mol
Monoisotopic Mass:
287.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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