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138763-97-0 | Benzofuran, 2-butyl-2-ethyl-2,3-dihydro-5-methyl-
CAS No: 138763-97-0 Catalog No: AG0019IK MDL No:
Product Description
Catalog Number:
AG0019IK
Chemical Name:
Benzofuran, 2-butyl-2-ethyl-2,3-dihydro-5-methyl-
CAS Number:
138763-97-0
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
2-butyl-2-ethyl-5-methyl-3H-1-benzofuran
InChI:
InChI=1S/C15H22O/c1-4-6-9-15(5-2)11-13-10-12(3)7-8-14(13)16-15/h7-8,10H,4-6,9,11H2,1-3H3
InChI Key:
HKRKCFBSYGMDNL-UHFFFAOYSA-N
SMILES:
CCCCC1(CC)Cc2c(O1)ccc(c2)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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