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101465-44-5 | Phenol, dimethyl(1-methylpropyl)- (9CI)
CAS No: 101465-44-5 Catalog No: AG0004JS MDL No:
Product Description
Catalog Number:
AG0004JS
Chemical Name:
Phenol, dimethyl(1-methylpropyl)- (9CI)
CAS Number:
101465-44-5
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
6-butan-2-yl-2,3-dimethylphenol
InChI:
InChI=1S/C12H18O/c1-5-8(2)11-7-6-9(3)10(4)12(11)13/h6-8,13H,5H2,1-4H3
InChI Key:
HGLOZSBFNCQBLW-UHFFFAOYSA-N
SMILES:
CCC(c1c(O)ccc(c1C)C)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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