Home Other Building Blocks 5-tert-Butyl-3-methylbenzene-1,2-diol

5-tert-Butyl-3-methylbenzene-1,2-diol

CAS No.:
2213-66-3
Catalog Number:
AG007PBI
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$44
- +
5g
95%
In Stock USA
United States
$119
- +
25g
95%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG007PBI
Chemical Name:
5-tert-Butyl-3-methylbenzene-1,2-diol
CAS Number:
2213-66-3
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD00020016
IUPAC Name:
5-tert-butyl-3-methylbenzene-1,2-diol
InChI:
InChI=1S/C11H16O2/c1-7-5-8(11(2,3)4)6-9(12)10(7)13/h5-6,12-13H,1-4H3
InChI Key:
PMRGVXIRSTVLJS-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1O)O)C(C)(C)C
EC Number:
218-668-9
NSC Number:
116690
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties