2-[1-(carboxymethyl)-4-methylcyclohexyl]acetic acid
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![2-[1-(carboxymethyl)-4-methylcyclohexyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7b7dfbe009a24e0f8dee7ad5c2de13f1.png "2-[1-(carboxymethyl)-4-methylcyclohexyl]acetic acid")
2-[1-(carboxymethyl)-4-methylcyclohexyl]acetic acid
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CAS No:
85179-91-5
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Formula:
C11H18O4
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Chemical Name:
2-[1-(carboxymethyl)-4-methylcyclohexyl]acetic acid
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Synonyms:
2-[1-(carboxymethyl)-4-methylcyclohexyl]acetic acid;4-Methyl-1,1-cyclohexanediacetic acid;85179-91-5;4-methylcyclohexane-1,1-diacetic acid;Oprea1_395873;Oprea1_598201;2,2'-(4-Methylcyclohexane-1,1-diyl)diacetic acid;SCHEMBL2870420;HMS1680N11;ZINC4759609;AKOS000511675;4-Methylcyclohexane-1,1-diyldiacetic acid;ST50218458;SR-01000316918;SR-01000316918-1;2-[1-(carboxymethyl)-4-methyl-cyclohexyl]acetic acid
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CAS No:
2-[1-(carboxymethyl)-4-methylcyclohexyl]acetic acid Basic Attributes
214.26 g/mol
214.12050905 g/mol
2917209090
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:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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