3-Cyclohexyl-2-methylpropanoic Acid - CAS 51953-02-7
Catalog: |
BB027660 |
Product Name: |
3-Cyclohexyl-2-methylpropanoic Acid |
CAS: |
51953-02-7 |
Synonyms: |
3-cyclohexyl-2-methylpropanoic acid; 3-cyclohexyl-2-methylpropanoic acid |
IUPAC Name: | 3-cyclohexyl-2-methylpropanoic acid |
Description: | 3-Cyclohexyl-2-methylpropanoic Acid (CAS# 51953-02-7) is a useful research chemical. |
Molecular Weight: | 170.25 |
Molecular Formula: | C10H18O2 |
Canonical SMILES: | CC(CC1CCCCC1)C(=O)O |
InChI: | InChI=1S/C10H18O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,11,12) |
InChI Key: | SAOPJNFYPNUPSE-UHFFFAOYSA-N |
LogP: | 2.67750 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021111935-A1 | Fragrance composition | 20191202 |
WO-2020227365-A1 | Inhibiting usp19 | 20190506 |
WO-2020115501-A1 | Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19) | 20181206 |
WO-2019150119-A1 | 4-hydroxypiperidine derivatives and their use as inhibitors of ubiquitin specific protease 19 (usp19) | 20180131 |
EP-3746432-A1 | 4-hydroxypiperidine derivatives and their use as inhibitors of ubiquitin specific protease 19 (usp19) | 20180131 |
Complexity: | 148 |
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: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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