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1084-74-8,MFCD00089268
Catalog No.:AA003HX6
1084-74-8 | 4-(2,5-Dimethoxyphenyl)-4-oxobutanoic acid
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5g
95%
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$411.00   $288.00
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Technical Information
Catalog Number:
AA003HX6
Chemical Name:
4-(2,5-Dimethoxyphenyl)-4-oxobutanoic acid
CAS Number:
1084-74-8
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
MDL Number:
MFCD00089268
IUPAC Name:
4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C12H14O5/c1-16-8-3-5-11(17-2)9(7-8)10(13)4-6-12(14)15/h3,5,7H,4,6H2,1-2H3,(H,14,15)
InChI Key:
HSFBDVDTGCGJBZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)CCC(=O)O)OC
NSC Number:
103070
Properties
Computed Properties
 
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
1084-74-8 
4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid 
Oprea1_452966 
SCHEMBL5055127 
CTK7A5637 
DTXSID50295560 
ZINC396787 
7167b 
BBL000667 
MFCD00089268 
SBB010093 
STK365740 
4-(2,5-Dimethoxy-phenyl)-4-oxo-butyric acid 
AKOS000100230 
MCULE-9749769636 
NSC-103070 
3-(2,5-dimethoxybenzoyl)propionic acid 
BAS 13070381 
NS-03264 
Benzenebutanoic acid,2,5-dimethoxy-g-oxo- 
BC1639751 
gamma-Oxo-2,5-dimethoxybenzenebutanoic acid 
TR-044678 
3-(2',5'-Dimethoxybenzoyl)propionic acid 
BB 0217341 
CS-0061946 
ST50294862 
T7304 
3-(2,5-DIMETHOXYBENZOYL)PROPIONICACID 
3-(2',5'-Dimethoxybenzoyl)propionic acid, 97% 
J-002152 
AR-1H8471 
CID266062 
1088-05-7 
4-(2,5-dimethoxyphenyl)-4-oxobutyric acid 
NSC103070 
AC1L6FBA 
AC1Q5VOR 
benzenebutanoic acid, 2,5-dimethoxy-|A-oxo- 
NCIOpen2_007295 
Literature
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