Home Other Building Blocks 2,4-Dimethoxyphenylacetic acid

2,4-Dimethoxyphenylacetic acid

CAS No.:
6496-89-5
Catalog Number:
AG003FTU
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
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Purity
Availability
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Price(USD)
Quantity
  
5g
94%
In Stock USA
United States
$38
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Product Description
Catalog Number:
AG003FTU
Chemical Name:
2,4-Dimethoxyphenylacetic acid
CAS Number:
6496-89-5
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00183328
IUPAC Name:
2-(2,4-dimethoxyphenyl)acetic acid
InChI:
InChI=1S/C10H12O4/c1-13-8-4-3-7(5-10(11)12)9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChI Key:
ZFXFMGARFHRTTO-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1CC(=O)O
NSC Number:
512596
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties