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122269-03-8 | Phenol, 2-(1,1-dimethylethyl)-4-(1,1-dimethylpropyl)-
CAS No: 122269-03-8 Catalog No: AG00171A MDL No:
Product Description
Catalog Number:
AG00171A
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-4-(1,1-dimethylpropyl)-
CAS Number:
122269-03-8
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
2-tert-butyl-4-(2-methylbutan-2-yl)phenol
InChI:
InChI=1S/C15H24O/c1-7-15(5,6)11-8-9-13(16)12(10-11)14(2,3)4/h8-10,16H,7H2,1-6H3
InChI Key:
NZRSIUKTGLRKIQ-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)C(C)(C)C)O)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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