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33632-74-5,MFCD09953183
Catalog No.:AA003IEM
33632-74-5 | 3,4-Dihydro-2H-benzo[b][1,4]dioxepine-2-carboxylic acid
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250mg
95%
in stock  
$43.00   $30.00
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1g
95%
in stock  
$108.00   $75.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IEM
Chemical Name:
3,4-Dihydro-2H-benzo[b][1,4]dioxepine-2-carboxylic acid
CAS Number:
33632-74-5
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD09953183
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepine-4-carboxylic acid
InChI:
InChI=1S/C10H10O4/c11-10(12)9-5-6-13-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2,(H,11,12)
InChI Key:
BYYFEADAQZCIGM-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCOc2c(O1)cccc2
Properties
Computed Properties
 
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
33632-74-5 
3,4-Dihydro-2H-benzo[b][1,4]dioxepine-2-carboxylic acid 
FCH878649 
MFCD09953183 
AKOS006311001 
VZ34885 
AK-87303 
DS-18312 
AX8236329 
TC-154706 
FT-0713294 
2H-1,5-Benzodioxepin-2-carboxylic acid, 3,4-dihydro- 
3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-2-CARBOXYLIC ACID 
3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxylicacid,98% 
MFCD00276310 
3,4-dihydro-2h-1,5-benzodioxepin-7-carboxylic acid 
2H-1,5-Benzodioxepin-2-carboxylicacid, 3,4-dihydro- 
DIH001 
SCHEMBL5608372 
CTK1C2086 
DTXSID50706101 
3,4-(Trimethylenedioxy)benzoic acid 
ANW-65961 
Literature
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