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1000414-38-9,MFCD20488619
Catalog No.:AA0000KJ
3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)- | 1000414-38-9
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250mg
95%
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$178.00
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1g
95%
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$467.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0000KJ
Chemical Name:
3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-
CAS Number:
1000414-38-9
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD20488619
IUPAC Name:
methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate
InChI:
InChI=1S/C11H12O4/c1-14-11(13)4-7-6-15-10-5-8(12)2-3-9(7)10/h2-3,5,7,12H,4,6H2,1H3/t7-/m1/s1
InChI Key:
RHMDISFJOKCCAQ-SSDOTTSWSA-N
SMILES:
COC(=O)C[C@@H]1COc2c1ccc(c2)O
Properties
Computed Properties
 
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
1000414-38-9 
(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate 
SCHEMBL9275740 
DTXSID00693855 
BCP12334 
CS-M1217 
0056AA 
ABP000978 
MFCD20488619 
ZINC72482121 
AKOS015904374 
SB17663 
methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate 
AK120406 
AS-39248 
BC267207 
SC-66186 
AJ-121188 
AX8245822 
ST24036311 
KS-00000660 
(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl 
I14-16749 
SR03298A 
methyl (S)-2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate 
methyl (S)-2-(6-hydroxyl-2,3-dihydrobenzofuran-3-yl)acetate 
Methyl 2-[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]acetate 
methyl(3S)-(2,3-dihydro-6-hydroxy-1-benzofuran-3-yl)acetate 
(S)-2,3-Dihydro-6-hydroxybenzofuran-3-acetic acid methyl ester 
(S)-(6-hydroxy-2,3-dihydro-benzofuran-3-yl)-acetic acid methyl ester 
3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)- 
C11H12O4 
805250-17-3 
((S)-6-hydroxy-2,3-dihydro-benzofuran-3-yl)-acetic acid methyl ester 
methyl [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate 
[(S)-6-hydroxy-2,3-dihydro-benzofuran-3-yl]-acetic acid methyl ester 
(S)-(6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl Ester 
methyl((3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate 
methyl[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate 
RHMDISFJOKCCAQ-SSDOTTSWSA-N 
3-Benzofuranaceticacid,2,3-dihydro-6-hydroxy-,Methylester 
Literature
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