Home Other Building Blocks 4,6-Dimethylisophthalic acid

4,6-Dimethylisophthalic acid

CAS No.:
2790-09-2
Catalog Number:
AG003AIC
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
200mg
>95.0%(GC)
1 week
United States
$130
- +
1g
>95.0%(GC)
1 week
United States
$349
- +
Product Description
Catalog Number:
AG003AIC
Chemical Name:
4,6-Dimethylisophthalic acid
CAS Number:
2790-09-2
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00230851
IUPAC Name:
4,6-dimethylbenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C10H10O4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
HAYIPGIFANTODX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C(=O)O)c(cc1C)C
NSC Number:
231476
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties