Home Other Building Blocks 4-Methoxyphthalic acid

4-Methoxyphthalic acid

CAS No.:
1885-13-8
Catalog Number:
AG002GXX
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$60
- +
5g
95%
In Stock USA
United States
$153
- +
10g
95%
In Stock USA
United States
$219
- +
25g
95%
In Stock USA
United States
$460
- +
Product Description
Catalog Number:
AG002GXX
Chemical Name:
4-Methoxyphthalic acid
CAS Number:
1885-13-8
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD00094739
IUPAC Name:
4-methoxyphthalic acid
InChI:
InChI=1S/C9H8O5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
JKZSIEDAEHZAHQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)O)C(=O)O
EC Number:
217-546-2
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties