2-Cyano-2-cyclohexylideneacetic Acid - CAS 37107-50-9
Catalog: |
BB023193 |
Product Name: |
2-Cyano-2-cyclohexylideneacetic Acid |
CAS: |
37107-50-9 |
Synonyms: |
2-cyano-2-cyclohexylideneacetic acid; 2-cyano-2-cyclohexylideneacetic acid |
IUPAC Name: | 2-cyano-2-cyclohexylideneacetic acid |
Description: | 2-Cyano-2-cyclohexylideneacetic Acid (CAS# 37107-50-9) is a useful research chemical. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | C1CCC(=C(C#N)C(=O)O)CC1 |
InChI: | InChI=1S/C9H11NO2/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5H2,(H,11,12) |
InChI Key: | KMAMEGWTNNOKOE-UHFFFAOYSA-N |
Boiling Point: | 353.9 °C at 760 mmHg |
Density: | 1.211 g/cm3 |
MDL: | MFCD00013799 |
LogP: | 1.85528 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-212467604-U | Cyclohexanone air compressor machine residual gas collection device | 20200430 |
CN-113181924-A | High-strength dehydrogenation catalyst and preparation method and application thereof | 20200114 |
WO-2019154949-A1 | Fused thiophene derivatives and their uses | 20180208 |
WO-2019154950-A1 | Fused thiophene derivatives and their uses | 20180208 |
EP-3749658-A1 | Fused thiophene derivatives and their uses | 20180208 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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