1-Ethoxycarbonyl cyclobutane-1-carboxylic acid - CAS 54450-84-9
Catalog: |
BB028665 |
Product Name: |
1-Ethoxycarbonyl cyclobutane-1-carboxylic acid |
CAS: |
54450-84-9 |
Synonyms: |
1-ethoxycarbonylcyclobutane-1-carboxylic acid |
IUPAC Name: | 1-ethoxycarbonylcyclobutane-1-carboxylic acid |
Description: | 1-Ethoxycarbonyl cyclobutane-1-carboxylic acid (CAS# 54450-84-9) is a useful research chemical. |
Molecular Weight: | 172.18 |
Molecular Formula: | C8H12O4 |
Canonical SMILES: | CCOC(=O)C1(CCC1)C(=O)O |
InChI: | InChI=1S/C8H12O4/c1-2-12-7(11)8(6(9)10)4-3-5-8/h2-5H2,1H3,(H,9,10) |
InChI Key: | XYHZRSFKDSWLHW-UHFFFAOYSA-N |
Boiling Point: | 276.627 °C at 760 mmHg |
Density: | 1.268 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD10699115 |
LogP: | 0.80440 |
GHS Hazard Statement: | H302 (97.56%): 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 |
WO-2021187486-A1 | Oxadiazole derivative | 20200317 |
WO-2021115375-A1 | Nitrogen-containing heterocyclic autotaxin inhibitor, and composition containing same and use thereof | 20191211 |
US-2019389906-A1 | Bicyclic peptide ligands specific for nectin-4 | 20180622 |
CN-112566651-A | Bicyclic peptide ligands specific for bindin-4 | 20180622 |
CN-112601539-A | Bicyclic peptide ligands specific for bindin-4 | 20180622 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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