Home Other Building Blocks Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-

Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-

CAS No.:
17696-37-6
Catalog Number:
AG002509
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
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Product Description
Catalog Number:
AG002509
Chemical Name:
Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-
CAS Number:
17696-37-6
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD24713532
IUPAC Name:
4-tert-butyl-2,5-dimethylphenol
InChI:
InChI=1S/C12H18O/c1-8-7-11(13)9(2)6-10(8)12(3,4)5/h6-7,13H,1-5H3
InChI Key:
ZSPDNAYHQYQUPC-UHFFFAOYSA-N
SMILES:
Cc1cc(c(cc1O)C)C(C)(C)C
EC Number:
241-696-8
Properties
Complexity:
169  
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:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties