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13677-69-5 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-propen-1-yl)-
CAS No: 13677-69-5 Catalog No: AG0012CC MDL No:
Product Description
Catalog Number:
AG0012CC
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-propen-1-yl)-
CAS Number:
13677-69-5
Molecular Formula:
C17H26O
Molecular Weight:
246.3877
IUPAC Name:
2,6-ditert-butyl-4-prop-2-enylphenol
InChI:
InChI=1S/C17H26O/c1-8-9-12-10-13(16(2,3)4)15(18)14(11-12)17(5,6)7/h8,10-11,18H,1,9H2,2-7H3
InChI Key:
XEDOURVJTJGZAF-UHFFFAOYSA-N
SMILES:
C=CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.198g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.394g/mol
Monoisotopic Mass:
246.198g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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