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Home > Encyclopedia > 2-[1-(carboxymethyl)-3-methylcyclohexyl]acetic acid

2-[1-(carboxymethyl)-3-methylcyclohexyl]acetic acid

2-[1-(carboxymethyl)-3-methylcyclohexyl]acetic acid structure

2-[1-(carboxymethyl)-3-methylcyclohexyl]acetic acid 

structure
  • CAS No:

    5345-12-0

  • Formula:

    C11H18O4

  • Chemical Name:

    2-[1-(carboxymethyl)-3-methylcyclohexyl]acetic acid

  • Synonyms:

    NSC3001;2-[1-(carboxymethyl)-3-methylcyclohexyl]acetic acid;MLS000736492;5345-12-0;2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid;NSC-3001;SCHEMBL2870375;CHEMBL1570455;DTXSID50277588;CHEBI:173168;HMS2813A12;AKOS024337585;MCULE-2928763866;NCI60_002517;SMR000528042;3-Methylcyclohexane-1,1-diyldiacetic acid;3-METHYL-1,1-CYCLOHEXANEDIACETIC ACID;2-[1-(carboxymethyl)-3-methyl-cyclohexyl]acetic acid

Description

2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid is a dicarboxylic acid.

2-[1-(carboxymethyl)-3-methylcyclohexyl]acetic acid Basic Attributes

214.26 g/mol

214.12050905 g/mol

3001

DTXSID50277588

Characteristics

74.6 Ų

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:214.26
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:214.12050905
Monoisotopic Mass:214.12050905
Topological Polar Surface Area:74.6
Heavy Atom Count:15
Complexity:243
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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