trans-4-Isopropylcyclohexanecarboxylic Acid - CAS 7077-05-6
Catalog: |
BB034233 |
Product Name: |
trans-4-Isopropylcyclohexanecarboxylic Acid |
CAS: |
7077-05-6 |
Synonyms: |
4-propan-2-yl-1-cyclohexanecarboxylic acid; 4-propan-2-ylcyclohexane-1-carboxylic acid |
IUPAC Name: | 4-propan-2-ylcyclohexane-1-carboxylic acid |
Description: | trans-4-Isopropylcyclohexanecarboxylic Acid (CAS# 7077-05-6) is an intermediate used in the process for the preparation of Nateglinide (N379375), a novel D-phenylalanine-derivative hypoglycemic agent. Nateglinide USP Related Compound A. |
Molecular Weight: | 170.25 |
Molecular Formula: | C10H18O2 |
Canonical SMILES: | CC(C)C1CCC(CC1)C(=O)O |
InChI: | InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12) |
InChI Key: | YRQKWRUZZCBSIG-UHFFFAOYSA-N |
Boiling Point: | 263.8 °C at 760 mmHg |
Density: | 0.996 g/cm3 |
MDL: | MFCD04004145 |
LogP: | 2.53340 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.130679813 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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