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29619-33-8 | 1,3-Benzodioxole, 4,6-bis(1,1-dimethylethyl)-
CAS No: 29619-33-8 Catalog No: AG002YWO MDL No:
Product Description
Catalog Number:
AG002YWO
Chemical Name:
1,3-Benzodioxole, 4,6-bis(1,1-dimethylethyl)-
CAS Number:
29619-33-8
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
4,6-ditert-butyl-1,3-benzodioxole
InChI:
InChI=1S/C15H22O2/c1-14(2,3)10-7-11(15(4,5)6)13-12(8-10)16-9-17-13/h7-8H,9H2,1-6H3
InChI Key:
IIZFCDYTAOAJGJ-UHFFFAOYSA-N
SMILES:
CC(c1cc2OCOc2c(c1)C(C)(C)C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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