3-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans - CAS 13293-59-9
Catalog: |
BB007658 |
Product Name: |
3-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans |
CAS: |
13293-59-9 |
Synonyms: |
3-methylcyclohexane-1-carboxylic acid |
IUPAC Name: | 3-methylcyclohexane-1-carboxylic acid |
Description: | 3-Methyl-1-cyclohexanecarboxylic Acid can be used as HIV attachment inhibitors. |
Molecular Weight: | 142.20 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | CC1CCCC(C1)C(=O)O |
InChI: | InChI=1S/C8H14O2/c1-6-3-2-4-7(5-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10) |
InChI Key: | CIFSKZDQGRCLBN-UHFFFAOYSA-N |
Boiling Point: | 235.9 °C at 760 mmHg |
Density: | 0.989 g/mL at 25 °C (lit.) |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00074908 |
LogP: | 1.89730 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.099379685 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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