3-morpholinobenzoic acid - CAS 215309-00-5
Catalog: |
BB016941 |
Product Name: |
3-morpholinobenzoic acid |
CAS: |
215309-00-5 |
Synonyms: |
3-(4-morpholinyl)benzoic acid; 3-morpholin-4-ylbenzoic acid |
IUPAC Name: | 3-morpholin-4-ylbenzoic acid |
Description: | 3-morpholinobenzoic acid (CAS# 215309-00-5) is a useful research chemical. |
Molecular Weight: | 207.23 |
Molecular Formula: | C11H13NO3 |
Canonical SMILES: | C1COCCN1C2=CC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C11H13NO3/c13-11(14)9-2-1-3-10(8-9)12-4-6-15-7-5-12/h1-3,8H,4-7H2,(H,13,14) |
InChI Key: | VSKFQESEPGOWBS-UHFFFAOYSA-N |
Boiling Point: | 0 ℃ |
Melting Point: | 161 ℃ |
Purity: | 95 % |
Density: | 1.253 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06659078 |
LogP: | 1.28640 |
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 |
CN-113354635-A | Pyrrolidine integrin regulator and application thereof | 20200306 |
WO-2021175196-A1 | Pyrrolidine integrin modulator and use thereof | 20200306 |
WO-2019154950-A1 | Fused thiophene derivatives and their uses | 20180208 |
WO-2019154953-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
WO-2019154956-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.08954328 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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