1-ethylcyclobutane-1-carboxylic acid - CAS 150864-94-1
Catalog: |
BB010584 |
Product Name: |
1-ethylcyclobutane-1-carboxylic acid |
CAS: |
150864-94-1 |
Synonyms: |
1-ethyl-1-cyclobutanecarboxylic acid; 1-ethylcyclobutane-1-carboxylic acid |
IUPAC Name: | 1-ethylcyclobutane-1-carboxylic acid |
Description: | 1-ethylcyclobutane-1-carboxylic acid (CAS# 150864-94-1) is a useful research chemical. |
Molecular Weight: | 128.171 |
Molecular Formula: | C7H12O2 |
Canonical SMILES: | CCC1(CCC1)C(=O)O |
InChI: | InChI=1S/C7H12O2/c1-2-7(6(8)9)4-3-5-7/h2-5H2,1H3,(H,8,9) |
InChI Key: | XLUXAKJPHJEFKL-UHFFFAOYSA-N |
LogP: | 1.65130 |
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 |
Publication Number | Title | Priority Date |
CA-3055805-A1 | N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibititors | 20180921 |
US-2020095239-A1 | N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors | 20180921 |
WO-2020058869-A1 | N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors | 20180921 |
TW-202024056-A | N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors | 20180921 |
CN-112672791-A | N-substituted dioxocyclobutenylamino-3-hydroxy-pyridinecarboxamides useful as CCR6 inhibitors | 20180921 |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Cyclobutane
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