Home Other Building Blocks ETHYL 4-TERT-BUTYLBENZOATE

ETHYL 4-TERT-BUTYLBENZOATE

CAS No.:
5406-57-5
Catalog Number:
AG00D8BK
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$107
- +
5g
99%
1 week
United States
$246
- +
25g
99%
1 week
United States
$510
- +
Product Description
Catalog Number:
AG00D8BK
Chemical Name:
ETHYL 4-TERT-BUTYLBENZOATE
CAS Number:
5406-57-5
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD00015152
IUPAC Name:
ethyl 4-tert-butylbenzoate
InChI:
InChI=1S/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3
InChI Key:
LIQWHXBLFOERRD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(C)(C)C
EC Number:
226-465-1
NSC Number:
7038
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties