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893752-13-1 | 2-HYDROXY-3-TERT-BUTYL-5,6,7,8-TETRAHYDRODIBENZOFURAN
CAS No: 893752-13-1 Catalog No: AG003WMT MDL No:
Product Description
Catalog Number:
AG003WMT
Chemical Name:
2-HYDROXY-3-TERT-BUTYL-5,6,7,8-TETRAHYDRODIBENZOFURAN
CAS Number:
893752-13-1
Molecular Formula:
C16H20O2
Molecular Weight:
244.3288
IUPAC Name:
3-tert-butyl-5a,6,7,8-tetrahydrodibenzofuran-2-ol
InChI:
InChI=1S/C16H20O2/c1-16(2,3)12-9-15-11(8-13(12)17)10-6-4-5-7-14(10)18-15/h6,8-9,14,17H,4-5,7H2,1-3H3
InChI Key:
IOEKXMVHAIWOMS-UHFFFAOYSA-N
SMILES:
Oc1cc2c(cc1C(C)(C)C)OC1C2=CCCC1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.146g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.334g/mol
Monoisotopic Mass:
244.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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