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Home Other Building Blocks 4-Formyl-benzoic acid mono tert-butyl ester

4-Formyl-benzoic acid mono tert-butyl ester

CAS No.:
65874-27-3
Catalog Number:
AG0036WP
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0036WP
Chemical Name:
4-Formyl-benzoic acid mono tert-butyl ester
CAS Number:
65874-27-3
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD01111994
IUPAC Name:
tert-butyl 4-formylbenzoate
InChI:
InChI=1S/C12H14O3/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-8H,1-3H3
InChI Key:
DUNFNBQQWYQKFE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)OC(C)(C)C
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties