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89593-97-5 | Isobenzofuran, 1-(1,1-dimethylethyl)-1,3-dihydro-3-phenyl-, cis-
CAS No: 89593-97-5 Catalog No: AG003XDS MDL No:
Product Description
Catalog Number:
AG003XDS
Chemical Name:
Isobenzofuran, 1-(1,1-dimethylethyl)-1,3-dihydro-3-phenyl-, cis-
CAS Number:
89593-97-5
Molecular Formula:
C18H20O
Molecular Weight:
252.3508
IUPAC Name:
1-tert-butyl-3-phenyl-1,3-dihydro-2-benzofuran
InChI:
InChI=1S/C18H20O/c1-18(2,3)17-15-12-8-7-11-14(15)16(19-17)13-9-5-4-6-10-13/h4-12,16-17H,1-3H3
InChI Key:
ZUZYOTPWTFDCSW-UHFFFAOYSA-N
SMILES:
CC([C@@H]1O[C@@H](c2c1cccc2)c1ccccc1)(C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.151g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.357g/mol
Monoisotopic Mass:
252.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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