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Home > Other Building Blocks > 139553-36-9
139553-36-9 | Phenol, 4-(1,1-dimethylpropyl)-2-methyl-6-(2-propen-1-yl)-
CAS No: 139553-36-9 Catalog No: AG001B9L MDL No:
Product Description
Catalog Number:
AG001B9L
Chemical Name:
Phenol, 4-(1,1-dimethylpropyl)-2-methyl-6-(2-propen-1-yl)-
CAS Number:
139553-36-9
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
2-methyl-4-(2-methylbutan-2-yl)-6-prop-2-enylphenol
InChI:
InChI=1S/C15H22O/c1-6-8-12-10-13(15(4,5)7-2)9-11(3)14(12)16/h6,9-10,16H,1,7-8H2,2-5H3
InChI Key:
CAIKMUBTXOLSLO-UHFFFAOYSA-N
SMILES:
C=CCc1cc(cc(c1O)C)C(CC)(C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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