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Home > Indoles and Oxindole > 6951-67-3
6951-67-3 | 1(3H)-Isobenzofuranone,3-(1,3-dimethyl-1H-indol-2-yl)-
CAS No: 6951-67-3 Catalog No: AG006BRG MDL No:
Product Description
Catalog Number:
AG006BRG
Chemical Name:
1(3H)-Isobenzofuranone,3-(1,3-dimethyl-1H-indol-2-yl)-
CAS Number:
6951-67-3
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
3-(1,3-dimethylindol-2-yl)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C18H15NO2/c1-11-12-7-5-6-10-15(12)19(2)16(11)17-13-8-3-4-9-14(13)18(20)21-17/h3-10,17H,1-2H3
InChI Key:
NTQQWNSXWGMDPW-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)c1c(C)c2c(n1C)cccc2
NSC Number:
52367
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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