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Home > Indoles and Oxindole > 105172-86-9
105172-86-9 | 1H-Indole-2,3-dione, 1-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]-
CAS No: 105172-86-9 Catalog No: AG007X27 MDL No:
Product Description
Catalog Number:
AG007X27
Chemical Name:
1H-Indole-2,3-dione, 1-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]-
CAS Number:
105172-86-9
Molecular Formula:
C19H15NO5
Molecular Weight:
337.3261
IUPAC Name:
1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]indole-2,3-dione
InChI:
InChI=1S/C19H15NO5/c1-24-15-9-7-12(11-16(15)25-2)8-10-17(21)20-14-6-4-3-5-13(14)18(22)19(20)23/h3-11H,1-2H3
InChI Key:
MUCYPMFRMPEEOM-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)N2c3ccccc3C(=O)C2=O)ccc1OC
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.095g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.331g/mol
Monoisotopic Mass:
337.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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