1-Phenyl-1-cyclopropanecarboxylic acid - CAS 6120-95-2
Catalog: |
BB030998 |
Product Name: |
1-Phenyl-1-cyclopropanecarboxylic acid |
CAS: |
6120-95-2 |
Synonyms: |
1-phenylcyclopropane-1-carboxylic acid |
IUPAC Name: | 1-phenylcyclopropane-1-carboxylic acid |
Description: | 1-Phenyl-1-cyclopropanecarboxylic acid (CAS# 6120-95-2) is an intermediate in the synthesis of pharmaceutical products including inhibitors and anticancer compounds. It is also used as the starting material in the synthesis of 2-(1-Phenylcyclopropyl)-4-oxazolecarboxylic Acid (P319785). |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | C1CC1(C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C10H10O2/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12) |
InChI Key: | IWWCCNVRNHTGLV-UHFFFAOYSA-N |
Boiling Point: | 309.3 ℃ at 760 mmHg |
Melting Point: | 84-87 ℃ |
Purity: | 95 % |
Density: | 1.266 g/cm3 |
Appearance: | White to beige crystals, crystalline powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00001288 |
LogP: | 1.80280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21754525 | 20110501 | N,N-Dimethylpyridin-4-aminium 1-phenyl-cyclo-pentane-1-carboxyl-ate monohydrate | Acta crystallographica. Section E, Structure reports online |
21589613 | 20101127 | 2-Amino-pyridinium 1-phenyl-cyclo-propane-1-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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