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3-methylphthalic acid

3-methylphthalic acid structure

3-methylphthalic acid 

structure
  • CAS No:

    37102-74-2

  • Formula:

    C9H8O4

  • Chemical Name:

    3-methylphthalic acid

  • Synonyms:

    3-methyl-1,2-benzenedicarboxylic acid;3-methylphthalate;3-METHYLPHTHALIC ACID;37102-74-2;3-Methylphthalate;3-Methyl-1,2-benzenedicarboxylic acid;3-methyl phthalic acid;3-methyl-phthalic acid;SCHEMBL80110;CHEMBL569257;DTXSID80958272;ZINC2008236;MFCD19301546;AKOS022505360;3-Methylbenzene-1,2-dicarboxylic acid;DS-9436;1,2-Benzenedicarboxylic acid, 3-methyl-;AK167209;CS-0061144

  • Categories:

    Organic Chemistry  >  Coordination Complexes

3-methylphthalic acid Basic Attributes

180.16 g/mol

180.04225873 g/mol

Characteristics

74.6 Ų

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

3-methyl-1,2-benzenedicarboxylic acid

Computed Properties

Molecular Weight:180.16
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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