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210303-05-2 | 2H-Indol-2-one, 1,3-dihydro-3-[[4-(1-methylethyl)phenyl]methylene]-, (3E)-
CAS No: 210303-05-2 Catalog No: AG002KP4 MDL No:MFCD00118155
Product Description
Catalog Number:
AG002KP4
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-[[4-(1-methylethyl)phenyl]methylene]-, (3E)-
CAS Number:
210303-05-2
Molecular Formula:
C18H17NO
Molecular Weight:
263.3337
MDL Number:
MFCD00118155
IUPAC Name:
3-[(4-propan-2-ylphenyl)methylidene]-1H-indol-2-one
InChI:
InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)
InChI Key:
IRQQWCZKCUQNSO-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(/C/1=C\c1ccc(cc1)C(C)C)cccc2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.34g/mol
Monoisotopic Mass:
263.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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