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67987-50-2 | 2H-Indol-2-one, 1,3-dihydro-3-(3-methyl-2-butenylidene)-, (3E)-
CAS No: 67987-50-2 Catalog No: AG006HDF MDL No:
Product Description
Catalog Number:
AG006HDF
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-(3-methyl-2-butenylidene)-, (3E)-
CAS Number:
67987-50-2
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
3-(3-methylbut-2-enylidene)-1H-indol-2-one
InChI:
InChI=1S/C13H13NO/c1-9(2)7-8-11-10-5-3-4-6-12(10)14-13(11)15/h3-8H,1-2H3,(H,14,15)
InChI Key:
QZLGVPXIVRIGBA-UHFFFAOYSA-N
SMILES:
CC(=C/C=C\1/C(=O)Nc2c1cccc2)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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