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25379-88-8,MFCD00583539
Catalog No.:AA003IF0
25379-88-8 | 3,4-Dihydroxyphenylacetic acid methyl ester
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Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week  
$49.00   $34.00
- +
5g
>98.0%(GC)
1 week  
$242.00   $170.00
- +
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Technical Information
Catalog Number:
AA003IF0
Chemical Name:
3,4-Dihydroxyphenylacetic acid methyl ester
CAS Number:
25379-88-8
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD00583539
IUPAC Name:
methyl 2-(3,4-dihydroxyphenyl)acetate
InChI:
InChI=1S/C9H10O4/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4,10-11H,5H2,1H3
InChI Key:
UGFILLIGHGZLHE-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)O)O
Properties
Computed Properties
 
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
25379-88-8 
Methyl 3,4-dihydroxyphenylacetate 
Methyl3,4-Dihydroxyphenylacetate 
CTK4F5606 
DTXSID70451666 
UGFILLIGHGZLHE-UHFFFAOYSA-N 
ZINC2566703 
Homoprotocatechuic Acid Methyl Ester 
ANW-25713 
BDBM50062147 
Catechol-4-acetic Acid Methyl Ester 
Chatechol-4-acetic acid methyl ester 
3,4-Dihydroxyphenylacetic Acid Methyl Ester 
MFCD00583539 
AKOS015900183 
FCH1122271 
TRA0048926 
VZ25563 
KS-000015N3 
Pyrocatechol-4-acetic Acid Methyl Ester 
AS-44408 
CC-13198 
SC-14908 
Methyl 2-(3,4-dihydroxyphenyl)acetate 
TL8002059 
TX-016620 
3,4-Dihydroxybenzeneacetic Acid Methyl Ester 
D2734 
FT-0638516 
X5226 
methyl 2-[3,4-bis(oxidanyl)phenyl]ethanoate 
(3,4-dihydroxyphenyl)-acetic acid methyl ester 
2-(3,4-dihydroxyphenyl)acetic acid methyl ester 
Benzeneacetic acid,3,4-dihydroxy-, methyl ester 
CHEMBL3120494 
379D888 
A817833 
C-06953 
3,4-DIHYDROXYPHENYLACETIC ACID METHYL ESTER 
J-015971 
I14-10506 
C9H10O4 
CID11008556 
3,4-DIHYDROXYPHENYLACETICACIDMETHYLESTER 
methyl (3,4-dihydroxyphenyl)acetate 
Benzeneacetic acid, 3,4-dihydroxy-, methyl ester 
methyl homoprotocatechuate 
ACMC-1CG7A 
SCHEMBL3668882 
Literature
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