1-(carboxymethyl)cyclohexane-1-carboxylic acid
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1-(carboxymethyl)cyclohexane-1-carboxylic acid
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CAS No:
67950-95-2
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Formula:
C9H14O4
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Chemical Name:
1-(carboxymethyl)cyclohexane-1-carboxylic acid
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Synonyms:
67950-95-2;1-Carboxycyclohexaneacetic Acid;1-(carboxymethyl)cyclohexanecarboxylic acid;1-(carboxymethyl)cyclohexane-1-carboxylic acid;Gabapentin Related Compound E;cyclohexaneacetic acid, 1-carboxy-;UNII-BJ25YSI2X8;NSC90823;BJ25YSI2X8;NSC-90823;NSC 90823;NCIStruc1_000126;NCIStruc2_000294;SCHEMBL8181259;CHEMBL1487140;DTXSID50218158;CHEBI:143735;ZINC337206;BCP22457;NCI90823;CCG-36278;KM1157;NCGC00013952;SBB090401;AKOS000279781;NCGC00013952-02;NCGC00097061-01;BS-24473;NCI60_042017;FT-0668922;AP-836/41220427;Q27274694;Gabapentin Related Compound E, United States Pharmacopeia (USP) Reference Standard;1-Carboxycyclohexaneacetic Acid; NSC 90823; USP Gabapentin Related Compound E;1-(CarboxyMethyl)cyclohexane-1-carboxylic acid;CARBOXYMETHYL-CYCLOHEXANECARBOXYLIC ACID (Gabapentin Related Compound E), Pharmaceutical Secondary Standard; Certified Reference Material
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CAS No:
1-(carboxymethyl)cyclohexane-1-carboxylic acid Basic Attributes
186.20 g/mol
186.08920892 g/mol
BJ25YSI2X8
90823
DTXSID50218158
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|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(carboxymethyl)cyclohexane-1-carboxylic acid Use and Manufacturing
Pharmaceuticals -> Transformation products
Computed Properties
Molecular Weight:186.20
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:186.08920892
Monoisotopic Mass:186.08920892
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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