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88631-80-5 | Benzofuran, 4-methyl-7-(1-methylethyl)-2-phenyl-
CAS No: 88631-80-5 Catalog No: AG0049UO MDL No:
Product Description
Catalog Number:
AG0049UO
Chemical Name:
Benzofuran, 4-methyl-7-(1-methylethyl)-2-phenyl-
CAS Number:
88631-80-5
Molecular Formula:
C18H18O
Molecular Weight:
250.3349
IUPAC Name:
4-methyl-2-phenyl-7-propan-2-yl-1-benzofuran
InChI:
InChI=1S/C18H18O/c1-12(2)15-10-9-13(3)16-11-17(19-18(15)16)14-7-5-4-6-8-14/h4-12H,1-3H3
InChI Key:
RRLOIOHWUNWCOU-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c2c1oc(c2)c1ccccc1)C)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.341g/mol
Monoisotopic Mass:
250.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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