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Home Carboxys ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate

ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate

CAS No.:
108993-84-6
Catalog Number:
AG00IXLC
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
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Product Description
Catalog Number:
AG00IXLC
Chemical Name:
ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
CAS Number:
108993-84-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD01044397
IUPAC Name:
ethyl 3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C12H14O4/c1-3-15-12(14)11-7(2)10-8(13)5-4-6-9(10)16-11/h3-6H2,1-2H3
InChI Key:
FUFIYZTYLVNRFU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2c(c1C)C(=O)CCC2
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
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