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117436-88-1 | Isobenzofuran, 1,3-dihydro-1-(1-methylethyl)-
CAS No: 117436-88-1 Catalog No: AG000EB8 MDL No:
Product Description
Catalog Number:
AG000EB8
Chemical Name:
Isobenzofuran, 1,3-dihydro-1-(1-methylethyl)-
CAS Number:
117436-88-1
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
1-propan-2-yl-1,3-dihydro-2-benzofuran
InChI:
InChI=1S/C11H14O/c1-8(2)11-10-6-4-3-5-9(10)7-12-11/h3-6,8,11H,7H2,1-2H3
InChI Key:
PTMMUIIYWDXDHI-UHFFFAOYSA-N
SMILES:
CC(C1OCc2c1cccc2)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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