Home Other Building Blocks Phenol, 2,4-bis(1-methylethyl)-

Phenol, 2,4-bis(1-methylethyl)-

CAS No.:
2934-05-6
Catalog Number:
AG002Y41
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
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Product Description
Catalog Number:
AG002Y41
Chemical Name:
Phenol, 2,4-bis(1-methylethyl)-
CAS Number:
2934-05-6
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD01707536
IUPAC Name:
2,4-di(propan-2-yl)phenol
InChI:
InChI=1S/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3
InChI Key:
KEUMBYCOWGLRBQ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)C(C)C)O)C
EC Number:
220-906-1
UNII:
YD41XSG2L8
Properties
Complexity:
151  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties