Home Other Building Blocks Dimethyl 5-cyanoisophthalate

Dimethyl 5-cyanoisophthalate

CAS No.:
23340-69-4
Catalog Number:
AG002MXC
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
>97%
In Stock USA
United States
$130
- +
5g
>97%
In Stock USA
United States
$1061
- +
Product Description
Catalog Number:
AG002MXC
Chemical Name:
Dimethyl 5-cyanoisophthalate
CAS Number:
23340-69-4
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD10567209
IUPAC Name:
dimethyl 5-cyanobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C11H9NO4/c1-15-10(13)8-3-7(6-12)4-9(5-8)11(14)16-2/h3-5H,1-2H3
InChI Key:
VCBJSDVXWATFEQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C#N)cc(c1)C(=O)OC
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties