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10126-32-6 | Isobenzofuran, 1,3-dihydro-6-methyl-1,1-diphenyl-
CAS No: 10126-32-6 Catalog No: AG00043H MDL No:
Product Description
Catalog Number:
AG00043H
Chemical Name:
Isobenzofuran, 1,3-dihydro-6-methyl-1,1-diphenyl-
CAS Number:
10126-32-6
Molecular Formula:
C21H18O
Molecular Weight:
286.3670
IUPAC Name:
5-methyl-3,3-diphenyl-1H-2-benzofuran
InChI:
InChI=1S/C21H18O/c1-16-12-13-17-15-22-21(20(17)14-16,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14H,15H2,1H3
InChI Key:
FCCKENDJIXYWOE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(OC2)(c1ccccc1)c1ccccc1
NSC Number:
100704
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.374g/mol
Monoisotopic Mass:
286.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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