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Home > Indoles and Oxindole > 1041857-41-3
1041857-41-3 | 5-hydroxy-7-methylindoline-2,3-dione
CAS No: 1041857-41-3 Catalog No: AG01DX7V MDL No:MFCD22556675
Product Description
Catalog Number:
AG01DX7V
Chemical Name:
5-hydroxy-7-methylindoline-2,3-dione
CAS Number:
1041857-41-3
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD22556675
IUPAC Name:
5-hydroxy-7-methyl-1H-indole-2,3-dione
InChI:
InChI=1S/C9H7NO3/c1-4-2-5(11)3-6-7(4)10-9(13)8(6)12/h2-3,11H,1H3,(H,10,12,13)
InChI Key:
HDKUDASBVPSNGE-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c2c(c1)C(=O)C(=O)N2
Properties
Complexity:
264
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:
2
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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