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Home > Indoles and Oxindole > 20342-63-6
20342-63-6 | 1H-Indole-4,5-dione
CAS No: 20342-63-6 Catalog No: AG0028V9 MDL No:
Product Description
Catalog Number:
AG0028V9
Chemical Name:
1H-Indole-4,5-dione
CAS Number:
20342-63-6
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
IUPAC Name:
1H-indole-4,5-dione
InChI:
InChI=1S/C8H5NO2/c10-7-2-1-6-5(8(7)11)3-4-9-6/h1-4,9H
InChI Key:
OUWRALKKIXLYKB-UHFFFAOYSA-N
SMILES:
O=C1C=Cc2c(C1=O)cc[nH]2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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