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124435-69-4 | 2(3H)-Benzofuranone, 7-(1,1-dimethylethyl)-3,3-dimethyl-
CAS No: 124435-69-4 Catalog No: AG000M0P MDL No:
Product Description
Catalog Number:
AG000M0P
Chemical Name:
2(3H)-Benzofuranone, 7-(1,1-dimethylethyl)-3,3-dimethyl-
CAS Number:
124435-69-4
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
7-tert-butyl-3,3-dimethyl-1-benzofuran-2-one
InChI:
InChI=1S/C14H18O2/c1-13(2,3)9-7-6-8-10-11(9)16-12(15)14(10,4)5/h6-8H,1-5H3
InChI Key:
HKUCBRQWGNMMCA-UHFFFAOYSA-N
SMILES:
O=C1Oc2c(C1(C)C)cccc2C(C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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