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Home > Indoles and Oxindole > 137542-70-2
137542-70-2 | 1H-Indole-4,7-dione, 6-methoxy-
CAS No: 137542-70-2 Catalog No: AG0013J1 MDL No:
Product Description
Catalog Number:
AG0013J1
Chemical Name:
1H-Indole-4,7-dione, 6-methoxy-
CAS Number:
137542-70-2
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
6-methoxy-1H-indole-4,7-dione
InChI:
InChI=1S/C9H7NO3/c1-13-7-4-6(11)5-2-3-10-8(5)9(7)12/h2-4,10H,1H3
InChI Key:
UVIWOIATAPBTCZ-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)c2c(C1=O)[nH]cc2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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