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Home Other Building Blocks 2-Methoxyisophthalic acid

2-Methoxyisophthalic acid

CAS No.:
1951-38-8
Catalog Number:
AG0038WH
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
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Product Description
Catalog Number:
AG0038WH
Chemical Name:
2-Methoxyisophthalic acid
CAS Number:
1951-38-8
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD00134097
IUPAC Name:
2-methoxybenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C9H8O5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
ZRWAPLTWCQQSAN-UHFFFAOYSA-N
SMILES:
COc1c(cccc1C(=O)O)C(=O)O
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Subtle structural variation in copper metal-organic frameworks: syntheses, structures, magnetic properties and catalytic behaviour. Dalton transactions (Cambridge, England : 2003) 20081221
A review of picotamide in the reduction of cardiovascular events in diabetic patients. Vascular health and risk management 20070201
Properties