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Benzylmalonic acid

CAS No.:
616-75-1
Catalog Number:
AG003GL7
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
In Stock USA
United States
$190
- +
25g
In Stock USA
United States
$394
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Product Description
Catalog Number:
AG003GL7
Chemical Name:
Benzylmalonic acid
CAS Number:
616-75-1
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00004261
IUPAC Name:
2-benzylpropanedioic acid
InChI:
InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
InChI Key:
JAEJSNFTJMYIEF-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)Cc1ccccc1
EC Number:
210-491-5
NSC Number:
8068
Properties
Complexity:
204  
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:
1.5  
Literature
Title Journal
Molecularly imprinted polymers: present and future prospective. International journal of molecular sciences 20110101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Impact of the carbon chain length of novel palladium(II) complexes on interaction with DNA and cytotoxic activity. Inorganic chemistry 20100405
Synthesis, characterization and cytotoxicity of diam(m)-ineplatinum(II) complexes containing beta-phenylisosuccinate ligand. Archiv der Pharmazie 20071101
Passivation of the calcite surface with phenylmalonate and benzylmalonate ions. Journal of colloid and interface science 20050601
Novel coumarin derivatives of heterocyclic compounds as lipid-lowering agents. Bioorganic & medicinal chemistry letters 20030804
Intramolecular 'Aryl-metal chelate ring' pi,pi-interactions as structural evidence for metalloaromaticity in (aromatic alpha,alpha'-diimine)-copper(II) chelates: molecular and crystal structure of aqua(1,10-phenanthroline)(2-benzylmalonato)copper(II) three-hydrate. Inorganic chemistry 20021230
Properties