1,3-Phenylenediacetic acid - CAS 19806-17-8
Catalog: |
BB015309 |
Product Name: |
1,3-Phenylenediacetic acid |
CAS: |
19806-17-8 |
Synonyms: |
2-[3-(carboxymethyl)phenyl]acetic acid |
IUPAC Name: | 2-[3-(carboxymethyl)phenyl]acetic acid |
Description: | 1,3-Phenylenediacetic acid (CAS# 19806-17-8) is a useful research chemical. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | C1=CC(=CC(=C1)CC(=O)O)CC(=O)O |
InChI: | InChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14) |
InChI Key: | GDYYIJNDPMFMTB-UHFFFAOYSA-N |
Boiling Point: | 401.6 °C at 760 mmHg |
Density: | 1.345 g/cm3 |
MDL: | MFCD00004341 |
LogP: | 0.94080 |
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-111154127-A | Method for preparing hydrolysis-resistant polyester film | 20200116 |
US-2021261622-A1 | Peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory diseases | 20200115 |
CN-113026142-A | Core-sheath composite polyester fiber | 20191224 |
WO-2021117762-A1 | Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device | 20191211 |
JP-2021091779-A | Polyamide compound and its manufacturing method | 20191210 |
PMID | Publication Date | Title | Journal |
22219784 | 20111101 | Poly[(μ(2)-1,3-di-4-pyridyl-propane)(μ(3)-1,3-phenyl-enediacetato)-cadmium] | Acta crystallographica. Section E, Structure reports online |
22219828 | 20111101 | Poly[[μ(2)-1,2-bis-(4-pyrid-yl)ethene](μ(3)-1,3-phenyl-enediacetato)-cadmium] | Acta crystallographica. Section E, Structure reports online |
21522305 | 20110226 | Poly[diaqua-tris-(μ(4)-1,3-phenyl-enediacetato)-dineodymium(III)] | Acta crystallographica. Section E, Structure reports online |
21522246 | 20110209 | Poly[diaqua-tris-(μ(4)-1,3-phenyl-ene-diacetato)-dicerium(III)] | Acta crystallographica. Section E, Structure reports online |
21212016 | 20110201 | Quantum chemical computations of 1,3-phenylenediacetic acid | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05790880 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS