1-(Carboxymethyl)cyclohexanecarboxylic acid | CAS No. 67950-95-2

1-(Carboxymethyl)cyclohexanecarboxylic acid

Basic Information

CAS Number

67950-95-2

Molecular Formula

C9H14O4

Molecular Weight

186.21 g/mol

AD

Basic Physical Properties

Melting Point

134 ºC

Boiling Point

390.3°C at 760 mmHg

Density

1.246

Flash Point

204 °C

C1CCC(CC1)(CC(=O)O)C(=O)O

InChI

InChI=1S/C9H14O4/c10-7(11)6-9(8(12)13)4-2-1-3-5-9/h1-6H2,(H,10,11)(H,12,13)

InChIKey

SDAXMMUAZRUWNL-UHFFFAOYSA-N

LogP

1.4962000000000002

Topological Polar Surface Area

74.6 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

216

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • CHEMBL1487140
  • NCI90823
  • Q27274694
  • NCIStruc1_000126
  • Gabapentin Imp. E (EP); Gabapentin USP Related Compound E; Gabapentin USP RC E; 1-(Carboxymethyl)cyclohexanecarboxylic Acid; Gabapentin Related Compound E; Gabapentin Impurity E
  • FT-0668922
  • AP-836/41220427
  • PD165923
  • EN300-211712
  • 1-(carboxymethyl)cyclohexanecarboxylic acid
  • NCGC00013952
  • GABAPENTIN IMPURITY E [EP IMPURITY]
  • 1-(carboxymethyl)cyclohexane-1-carboxylic acid
  • NCIStruc2_000294
  • NS00000612
  • CHEBI:143735
  • 1-Carboxycyclohexaneacetic Acid
  • Z1198163856
  • BJ25YSI2X8
  • cyclohexaneacetic acid, 1-carboxy-
  • NCI60_042017
  • 1-(carboxymethyl)cyclohexanecarboxylicacid
  • DTXSID50218158
  • BS-24473
  • AKOS000279781
  • 67950-95-2
  • CCG-36278
  • NSC-90823
  • CARBOXYMETHYL-CYCLOHEXANECARBOXYLIC ACID
  • SCHEMBL8181259
  • BCP22457

MDL Number

MFCD04037521

Customs Code

2917209090

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