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Home Other Building Blocks 3,4,5-Trimethoxyphenylacetic acid

3,4,5-Trimethoxyphenylacetic acid

CAS No.:
951-82-6
Catalog Number:
AG0033I1
Molecular Formula:
C11H14O5
Molecular Weight:
226.2259
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
95%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$275
- +
500g
98%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG0033I1
Chemical Name:
3,4,5-Trimethoxyphenylacetic acid
CAS Number:
951-82-6
Molecular Formula:
C11H14O5
Molecular Weight:
226.2259
MDL Number:
MFCD00004336
IUPAC Name:
2-(3,4,5-trimethoxyphenyl)acetic acid
InChI:
InChI=1S/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)
InChI Key:
DDSJXCGGOXKGSJ-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=O)O)cc(c1OC)OC
EC Number:
213-456-2
UNII:
K1HZ43C68Y
NSC Number:
130961
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.228g/mol
Monoisotopic Mass:
226.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Novel syntheses of cis and trans isomers of combretastatin A-4. The Journal of organic chemistry 20011130
Properties