Home Carboxys methyl 5-acetylfuran-3-carboxylate

methyl 5-acetylfuran-3-carboxylate

CAS No.:
99595-90-1
Catalog Number:
AG01BD3M
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
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Product Description
Catalog Number:
AG01BD3M
Chemical Name:
methyl 5-acetylfuran-3-carboxylate
CAS Number:
99595-90-1
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD24691751
IUPAC Name:
methyl 5-acetylfuran-3-carboxylate
InChI:
InChI=1S/C8H8O4/c1-5(9)7-3-6(4-12-7)8(10)11-2/h3-4H,1-2H3
InChI Key:
HYRLKTQFWZZKLQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1coc(c1)C(=O)C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties