Home Carboxys 4-methyl-4H-pyran-2,6-dicarboxylic acid

4-methyl-4H-pyran-2,6-dicarboxylic acid

CAS No.:
23046-94-8
Catalog Number:
AG01C1H5
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
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Product Description
Catalog Number:
AG01C1H5
Chemical Name:
4-methyl-4H-pyran-2,6-dicarboxylic acid
CAS Number:
23046-94-8
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
MDL Number:
MFCD20642303
IUPAC Name:
4-methyl-4H-pyran-2,6-dicarboxylic acid
InChI:
InChI=1S/C8H8O5/c1-4-2-5(7(9)10)13-6(3-4)8(11)12/h2-4H,1H3,(H,9,10)(H,11,12)
InChI Key:
VBEDNSNSMLCGFG-UHFFFAOYSA-N
SMILES:
CC1C=C(OC(=C1)C(=O)O)C(=O)O
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.037g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.147g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties