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113844-40-9 | 5-Benzofuranol, 2-(1,5-dimethylhexyl)-2,3-dihydro-2,4,6,7-tetramethyl-
CAS No: 113844-40-9 Catalog No: AG0009V5 MDL No:
Product Description
Catalog Number:
AG0009V5
Chemical Name:
5-Benzofuranol, 2-(1,5-dimethylhexyl)-2,3-dihydro-2,4,6,7-tetramethyl-
CAS Number:
113844-40-9
Molecular Formula:
C20H32O2
Molecular Weight:
304.4669
IUPAC Name:
2,4,6,7-tetramethyl-2-(6-methylheptan-2-yl)-3H-1-benzofuran-5-ol
InChI:
InChI=1S/C20H32O2/c1-12(2)9-8-10-13(3)20(7)11-17-16(6)18(21)14(4)15(5)19(17)22-20/h12-13,21H,8-11H2,1-7H3
InChI Key:
NWJMUDLPLBGFKN-UHFFFAOYSA-N
SMILES:
CC(CCCC(C1(C)Oc2c(C1)c(C)c(c(c2C)C)O)C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.24g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.474g/mol
Monoisotopic Mass:
304.24g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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