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93217-20-0 | 1(3H)-Isobenzofuranone, 3-(3H-indol-3-ylidene)-
CAS No: 93217-20-0 Catalog No: AG006HNT MDL No:
Product Description
Catalog Number:
AG006HNT
Chemical Name:
1(3H)-Isobenzofuranone, 3-(3H-indol-3-ylidene)-
CAS Number:
93217-20-0
Molecular Formula:
C16H9NO2
Molecular Weight:
247.2482
IUPAC Name:
3-indol-3-ylidene-2-benzofuran-1-one
InChI:
InChI=1S/C16H9NO2/c18-16-12-7-2-1-6-11(12)15(19-16)13-9-17-14-8-4-3-5-10(13)14/h1-9H
InChI Key:
VKVVXMFXSBLRGZ-UHFFFAOYSA-N
SMILES:
O=C1OC(=C2C=Nc3c2cccc3)c2c1cccc2
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.253g/mol
Monoisotopic Mass:
247.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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