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Home Other Building Blocks 4-Methylphthalic acid

4-Methylphthalic acid

CAS No.:
4316-23-8
Catalog Number:
AG003443
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
94%
In Stock USA
United States
$13
- +
5g
94%
In Stock USA
United States
$32
- +
25g
94%
In Stock USA
United States
$75
- +
100g
94%
In Stock USA
United States
$225
- +
500g
94%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003443
Chemical Name:
4-Methylphthalic acid
CAS Number:
4316-23-8
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00041946
IUPAC Name:
4-methylphthalic acid
InChI:
InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
CWJJAFQCTXFSTA-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)C(=O)O
EC Number:
224-333-8
NSC Number:
83573
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Metallo-beta-lactamase inhibitory activity of phthalic acid derivatives. Bioorganic & medicinal chemistry letters 20090901
Measurements of the hygroscopic and deliquescence properties of organic compounds of different solubilities in water and their relationship with cloud condensation nuclei activities. Environmental science & technology 20080515
Capillary electrophoresis determinative and GC-MS confirmatory method for water-soluble organic acids in airborne particulate matter and vehicle emission. Journal of separation science 20050801
Properties