3-(Hydroxymethyl)cyclobutanecarboxylic Acid - CAS 1015856-00-4
Catalog: |
BB000558 |
Product Name: |
3-(Hydroxymethyl)cyclobutanecarboxylic Acid |
CAS: |
1015856-00-4 |
Synonyms: |
3-(hydroxymethyl)-1-cyclobutanecarboxylic acid; 3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 3-(hydroxymethyl)cyclobutane-1-carboxylic acid |
Description: | 3-(Hydroxymethyl)cyclobutanecarboxylic Acid can be used as ROCK kinase inhibitors. |
Molecular Weight: | 130.14 |
Molecular Formula: | C6H10O3 |
Canonical SMILES: | C1C(CC1C(=O)O)CO |
InChI: | InChI=1S/C6H10O3/c7-3-4-1-5(2-4)6(8)9/h4-5,7H,1-3H2,(H,8,9) |
InChI Key: | IJDSDHSDNKDDER-UHFFFAOYSA-N |
LogP: | 0.08950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112654605-A | Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof | 20190809 |
WO-2021027647-A1 | Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof | 20190809 |
WO-2019063748-A1 | INHIBITORS OF ROR-GAMMA | 20170930 |
CN-105121430-B | Conditioning agent for treating the LADA orphan receptor γ related to the biostearin of inflammatory disease (ROR γ) | 20121206 |
US-2015175562-A1 | Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ror[gamma] | 20120531 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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