o-Phenylenedioxydiacetic acid - ≥97% , CAS No.5411-14-3

CAS: 5411-14-3 Cat. No.: P111189 Molecular Weight: 226.18 Beilstein Registry Number: 2057228 EC Number: 226-488-7

GRADE & PURITY ≥97%

Synonyms

DTXSID70202453 | NSC 10926 | NSC 156822 | FT-0623519 | L-Methionine-(S,R)-Sulfoximine | Acetic acid, 2,2'-[1,2-phenylenebis(oxy)]bis- | EINECS 244-560-6 | Oprea1_434459 | 2,2'-[benzene-1,2-diylbis(oxy)]diacetic acid | ACETIC ACID, 2,2'-(1,2-PHENYLENEBIS(O

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID70202453 | NSC 10926 | NSC 156822 | FT-0623519 | L-Methionine-(S, R)-Sulfoximine | Acetic acid, 2, 2'-[1, 2-phenylenebis(oxy)]bis- | EINECS 244-560-6 | Oprea1_434459 | 2, 2'-[benzene-1, 2-diylbis(oxy)]diacetic acid | ACETIC ACID, 2, 2'-(1, 2-PHENYLENEBIS(O

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185727
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185727
• Canonical Smiles: C1=CC=C(C(=C1)OCC(=O)O)OCC(=O)O
• IUPAC Name: 2-[2-(carboxymethoxy)phenoxy]acetic acid
• InChIKey: PPZYHOQWRAUWAY-UHFFFAOYSA-N
• INCHI: 1S/C10H10O6/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
• Isomeric SMILES: C1=CC=C(C(=C1)OCC(=O)O)OCC(=O)O
• WGK Germany: 3
• Molecular Weight: 226.18
• Beilstein: 2057228
• Reaxy-Rn: 2057228
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2057228&ln=

Chemical and Physical Properties

• Molecular Weight: 226.180 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 226.048 Da
• Monoisotopic Mass: 226.048 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 226.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Dongqi Yue, Yuejie Chen, Yuxin Wu, Hou Chen, Liangjiu Bai, Wenxiang Wang, Huawei Yang, Lixia Yang, Donglei Wei.  (2023)  Fabrication of anti-freezing and self-healing nanocomposite hydrogels based on zwitterionic proline and cellulose nanocrystals.  Sustainable Materials and Technologies,      [PMID:] [10.1016/j.susmat.2023.e00653]

2. Tiezhu Guo, Xiaodan Lin, Xingsong Hu, Shaowei Cui, Xiaolian Chen.  (2018)  Direct synthesis of zirconium containing phenyl silicone resin for LED encapsulation.  INTERNATIONAL JOURNAL OF POLYMER ANALYSIS AND CHARACTERIZATION,      [PMID:] [10.1080/1023666X.2017.1403240]