3-Methoxycyclohexanecarboxylic acid, mixture of cis and trans - CAS 99799-10-7
Catalog: |
BB042340 |
Product Name: |
3-Methoxycyclohexanecarboxylic acid, mixture of cis and trans |
CAS: |
99799-10-7 |
Synonyms: |
3-methoxycyclohexane-1-carboxylic acid |
IUPAC Name: | 3-methoxycyclohexane-1-carboxylic acid |
Description: | 3-Methoxycyclohexanecarboxylic acid, mixture of cis and trans (CAS# 99799-10-7) is a useful research chemical. |
Molecular Weight: | 158.19 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | COC1CCCC(C1)C(=O)O |
InChI: | InChI=1S/C8H14O3/c1-11-7-4-2-3-6(5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10) |
InChI Key: | KAWNRNMMEKTYGM-UHFFFAOYSA-N |
Boiling Point: | 140-142 °C5 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.087 g/mL at 25 °C (lit.) |
Appearance: | Solid |
MDL: | MFCD00074991 |
LogP: | 1.27620 |
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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Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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