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850554-09-5,MFCD16631897
Catalog No.:AA01AQKR
850554-09-5 | 6-Methoxy-3,7-dimethyl-1-benzofuran-2-carboxylic acid
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Price(USD)
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1g
95%
2 weeks  
$1,075.00   $753.00
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Technical Information
Catalog Number:
AA01AQKR
Chemical Name:
6-Methoxy-3,7-dimethyl-1-benzofuran-2-carboxylic acid
CAS Number:
850554-09-5
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD16631897
IUPAC Name:
6-methoxy-3,7-dimethyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C12H12O4/c1-6-8-4-5-9(15-3)7(2)10(8)16-11(6)12(13)14/h4-5H,1-3H3,(H,13,14)
InChI Key:
PRELZHJBOJKAMK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C)oc(c2C)C(=O)O
Properties
Computed Properties
 
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
6-methoxy-3,7-dimethyl-1-benzofuran-2-carboxylic acid 
850554-09-5 
SCHEMBL11750326 
ZINC36657722 
AKOS015957351 
MCULE-3080377064 
L-3363 
F2176-0021 
Literature
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