Cyclohexane-1,1-dicarboxylic acid - CAS 1127-08-8
Catalog: |
BB003026 |
Product Name: |
Cyclohexane-1,1-dicarboxylic acid |
CAS: |
1127-08-8 |
Synonyms: |
cyclohexane-1,1-dicarboxylic acid |
IUPAC Name: | cyclohexane-1,1-dicarboxylic acid |
Description: | Cyclohexane-1,1-dicarboxylic acid (CAS# 1127-08-8) is a useful research chemical. |
Molecular Weight: | 172.18 |
Molecular Formula: | C8H12O4 |
Canonical SMILES: | C1CCC(CC1)(C(=O)O)C(=O)O |
InChI: | InChI=1S/C8H12O4/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H,9,10)(H,11,12) |
InChI Key: | QYQADNCHXSEGJT-UHFFFAOYSA-N |
Boiling Point: | 375.4 °C at 760 mmHg |
Melting Point: | 175.5-176.5 °C |
Purity: | 95 % |
Density: | 1.33 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00094668 |
LogP: | 1.10610 |
GHS Hazard Statement: | H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113501945-A | High-strength high-toughness high-barrier random copolyester and preparation method thereof | 20210728 |
CN-113481626-A | Preparation method of polyphenylene sulfide sulfone ketone fiber | 20210714 |
CN-113493387-A | Synthesis method of weather-resistant epoxy resin curing agent | 20210707 |
AU-2021102891-A4 | Hydrolysable Copolyester and Preparation Method and Application Thereof | 20210527 |
CN-113332977-A | Catalyst for phthalate hydrogenation catalytic reaction and preparation method and application thereof | 20210525 |
PMID | Publication Date | Title | Journal |
22986411 | 20121107 | An unusual double T5(2) water tape trapped in silver(I) coordination polymer hosts: influence of the solvent on the assembly of Ag(I)-4,4'-bipyridine chains with trans-cyclohexanedicarboxylate and their luminescent properties | Dalton transactions (Cambridge, England : 2003) |
17148900 | 20061201 | catena-Poly[[[cis-aquabis(4-carboxycyclohexane-1-carboxylato-kappa2O,O')cadmium(II)]-mu-4,4'-bipyridine-kappa2N:N] monohydrate] | Acta crystallographica. Section C, Crystal structure communications |
15765479 | 20050401 | Positional and geometrical anionic isomer separations by capillary electrophoresis-electrospray ionization-mass spectrometry | Electrophoresis |
15367996 | 20040921 | Isomer separation, conformation control of flexible cyclohexanedicarboxylate ligand in cadmium complexes | Chemical communications (Cambridge, England) |
15450193 | 20040901 | Rhodotorula cycloclastica sp. nov., Rhodotorula retinophila sp. nov., and Rhodotorula terpenoidalis sp. nov., three limonene-utilizing yeasts isolated from soil | FEMS yeast research |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.07355886 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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