CAS 4316-23-8 | 4-Methylphthalic acid | CAS Number 4316-23-8

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4316-23-8 | 4-Methylphthalic acid

CAS No: 4316-23-8 Catalog No: AG003443 MDL No:MFCD00041946

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.159g/mol

Monoisotopic Mass:

180.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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