Home Carboxys Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

CAS No.:
3385-34-0
Catalog Number:
AG003MLG
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
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Product Description
Catalog Number:
AG003MLG
Chemical Name:
Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CAS Number:
3385-34-0
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00006643
IUPAC Name:
ethyl 2,4-dimethyl-6-oxopyran-3-carboxylate
InChI:
InChI=1S/C10H12O4/c1-4-13-10(12)9-6(2)5-8(11)14-7(9)3/h5H,4H2,1-3H3
InChI Key:
FBPWNVQUVXSXKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)cc(=O)oc1C
EC Number:
222-195-3
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties