4-Methylcyclohexaneacetic acid, mixture of cis and trans - CAS 6603-71-0
Catalog: |
BB032885 |
Product Name: |
4-Methylcyclohexaneacetic acid, mixture of cis and trans |
CAS: |
6603-71-0 |
Synonyms: |
2-(4-methylcyclohexyl)acetic acid |
IUPAC Name: | 2-(4-methylcyclohexyl)acetic acid |
Description: | 4-Methylcyclohexaneacetic acid, mixture of cis and trans (CAS# 6603-71-0) is a useful research chemical compound. |
Molecular Weight: | 156.22 |
Molecular Formula: | C9H16O2 |
Canonical SMILES: | CC1CCC(CC1)CC(=O)O |
InChI: | InChI=1S/C9H16O2/c1-7-2-4-8(5-3-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11) |
InChI Key: | OQZGYMRYZAKXAF-UHFFFAOYSA-N |
Boiling Point: | 253.7 ℃ at 760 mmHg |
Density: | 0.984 g/cm3 |
MDL: | MFCD00074993 |
LogP: | 2.28740 |
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 |
Publication Number | Title | Priority Date |
JP-2021510707-A | Condensed imidazole derivative as IL-17 modulator | 20180115 |
CN-109957146-B | Preparation method of modified alumina particles used as nucleating agent | 20171225 |
EP-3409679-A1 | Novel bisphosphonic acid compound | 20160129 |
US-10689408-B2 | Bisphosphonic acid compound | 20160129 |
US-2019002482-A1 | Novel bisphosphonic acid compound | 20160129 |
PMID | Publication Date | Title | Journal |
18205052 | 20080215 | Evaluation of algal phytodegradation of petroleum naphthenic acids | Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.115029749 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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