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38464-04-9,MFCD00040785
Catalog No.:AA003IDU
38464-04-9 | 3,4-Diethoxyphenylacetic acid
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1g
95%
in stock  
$29.00   $20.00
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5g
95%
in stock  
$108.00   $75.00
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25g
95%
in stock  
$477.00   $334.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IDU
Chemical Name:
3,4-Diethoxyphenylacetic acid
CAS Number:
38464-04-9
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD00040785
IUPAC Name:
2-(3,4-diethoxyphenyl)acetic acid
InChI:
InChI=1S/C12H16O4/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H,13,14)
InChI Key:
FIKUHWAANCXBGJ-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)CC(=O)O
EC Number:
253-957-3
Properties
Computed Properties
 
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
3,4-Diethoxyphenylacetic acid 
38464-04-9 
AC1LBBIZ 
PubChem20701 
ACMC-1AEV8 
AC1Q5VI5 
Cambridge id 7186671 
Oprea1_806039 
3,4-diethoxy-phenylacetic acid 
ARONIS001321 
SCHEMBL1883666 
Jsp006731 
2-(3,4-diethoxyphenyl)acetic acid 
CTK4H9999 
DTXSID80191783 
Benzeneacetic acid,3,4-diethoxy- 
HMS1590C05 
ZINC103350 
ALBB-000943 
Benzeneacetic acid, 3,4-diethoxy- 
KS-000014DY 
KS-00003UT9 
PAA-0117 
(3,4-diethoxyphenyl)acetic acid 
ZERO/001750 
ZX-AN000931 
ZX-BK000566 
ZX-CM000757 
ANW-28902 
BBL008119 
HTS001663 
MFCD00040785 
SBB000636 
STK002540 
3,4-Diethoxyphenyl Acetic Acid 
AKOS000308086 
BS-4322 
MCULE-7029949308 
VZ25505 
ACM38464049 
AC-15715 
AJ-11131 
AK-89721 
CC-13125 
ST039870 
(3,4-Diethoxy-phenyl)-acetic acid 
AB0008242 
AX8014162 
BB0248999 
DB-021879 
TR-051340 
BB 0248999 
D3419 
FT-0639475 
ST24039230 
M-1914 
3,4-Diethoxyphenylaceticacid 
464D049 
AG-205/40848496 
C-12657 
SR-01000537038 
SR-01000537038-1 
3,4-Diethyloxy phenylacetic acid 
KST-1A4452 
C12H16O4 
AR-1A3829 
CID579813 
FIKUHWAANCXBGJ-UHFFFAOYSA-N 
C12-H16-O4 
38775-38-1 
W-106482 
EINECS 253-957-3 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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