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Home Other Building Blocks 1,3-Phenylenediacetic acid

1,3-Phenylenediacetic acid

CAS No.:
19806-17-8
Catalog Number:
AG002B9T
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$23
- +
5g
97%
1 week
United States
$59
- +
Product Description
Catalog Number:
AG002B9T
Chemical Name:
1,3-Phenylenediacetic acid
CAS Number:
19806-17-8
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00004341
IUPAC Name:
2-[3-(carboxymethyl)phenyl]acetic acid
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
SMILES:
OC(=O)Cc1cccc(c1)CC(=O)O
EC Number:
243-332-3
UNII:
ZQX9GRV3OO
NSC Number:
75867
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Poly[(μ(2)-1,3-di-4-pyridyl-propane)(μ(3)-1,3-phenyl-enediacetato)-cadmium]. Acta crystallographica. Section E, Structure reports online 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 20111101
Poly[diaqua-tris-(μ(4)-1,3-phenyl-ene-diacetato)-dicerium(III)]. Acta crystallographica. Section E, Structure reports online 20110301
Poly[diaqua-tris-(μ(4)-1,3-phenyl-enediacetato)-dineodymium(III)]. Acta crystallographica. Section E, Structure reports online 20110301
Quantum chemical computations of 1,3-phenylenediacetic acid. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110201
Benzene-1,3-diacetic acid. Acta crystallographica. Section E, Structure reports online 20080901
Identification of some novel AHAS inhibitors via molecular docking and virtual screening approach. Bioorganic & medicinal chemistry 20070101
Tetranuclear copper(II) complexes bridged by alpha-D-glucose-1-phosphate and incorporation of sugar acids through the Cu4 core structural changes. Inorganic chemistry 20060821
Properties