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503447-50-5 | 2H-Indol-2-one, 1,3-dihydro-3-(1(3H)-isobenzofuranylidene)-4-methyl-
CAS No: 503447-50-5 Catalog No: AG006UOQ MDL No:
Product Description
Catalog Number:
AG006UOQ
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-(1(3H)-isobenzofuranylidene)-4-methyl-
CAS Number:
503447-50-5
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
3-(3H-2-benzofuran-1-ylidene)-4-methyl-1H-indol-2-one
InChI:
InChI=1S/C17H13NO2/c1-10-5-4-8-13-14(10)15(17(19)18-13)16-12-7-3-2-6-11(12)9-20-16/h2-8H,9H2,1H3,(H,18,19)
InChI Key:
XSEHJSKPAWAXJW-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=C1OCc3c1cccc3)c(C)ccc2
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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