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27529-54-0 | 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dimethylphenyl)-
CAS No: 27529-54-0 Catalog No: AG002U00 MDL No:
Product Description
Catalog Number:
AG002U00
Chemical Name:
1(3H)-Isobenzofuranone, 3,3-bis(3,4-dimethylphenyl)-
CAS Number:
27529-54-0
Molecular Formula:
C24H22O2
Molecular Weight:
342.4303
IUPAC Name:
3,3-bis(3,4-dimethylphenyl)-2-benzofuran-1-one
InChI:
InChI=1S/C24H22O2/c1-15-9-11-19(13-17(15)3)24(20-12-10-16(2)18(4)14-20)22-8-6-5-7-21(22)23(25)26-24/h5-14H,1-4H3
InChI Key:
FBPBLCNHRYXXEV-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)(c1ccc(c(c1)C)C)c1ccc(c(c1)C)C
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.162g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.438g/mol
Monoisotopic Mass:
342.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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