4-(4-Morpholinylcarbonyl)benzoic acid - CAS 160816-43-3
Catalog: |
BB011673 |
Product Name: |
4-(4-Morpholinylcarbonyl)benzoic acid |
CAS: |
160816-43-3 |
Synonyms: |
4-(morpholine-4-carbonyl)benzoic acid |
IUPAC Name: | 4-(morpholine-4-carbonyl)benzoic acid |
Description: | 4-(4-Morpholinylcarbonyl)benzoic acid (CAS# 160816-43-3) is a useful research chemical. |
Molecular Weight: | 235.24 |
Molecular Formula: | C12H13NO4 |
Canonical SMILES: | C1COCCN1C(=O)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C12H13NO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4H,5-8H2,(H,15,16) |
InChI Key: | BFTPXPCTGHARJF-UHFFFAOYSA-N |
Boiling Point: | 469.6 °C at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD01203164 |
LogP: | 0.79510 |
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 |
WO-2021126999-A1 | Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor | 20191217 |
WO-2021086879-A1 | Compounds and methods of use | 20191028 |
WO-2019057806-A1 | SUBSTITUTED DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | 20170920 |
EP-3684775-A1 | Substituted dihydrothienopyrimidines and their use as phosphodiesterase inhibitors | 20170920 |
JP-2020534308-A | Substituted dihydrothienopyrimidine and its use as a phosphodiesterase inhibitor | 20170920 |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.08445790 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.08445790 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Morpholines/Thiomorpholines
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