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101596-89-8 | 1(3H)-Isobenzofuranone, 3-(2,4,6-trimethylphenyl)-
CAS No: 101596-89-8 Catalog No: AG0004X6 MDL No:
Product Description
Catalog Number:
AG0004X6
Chemical Name:
1(3H)-Isobenzofuranone, 3-(2,4,6-trimethylphenyl)-
CAS Number:
101596-89-8
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
3-(2,4,6-trimethylphenyl)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C17H16O2/c1-10-8-11(2)15(12(3)9-10)16-13-6-4-5-7-14(13)17(18)19-16/h4-9,16H,1-3H3
InChI Key:
RXLGUWLUGZQJNK-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C1OC(=O)c2c1cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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