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1551-45-7 | 4H-Pyran-2-carboxylic acid, 4-oxo-, ethyl ester
CAS No: 1551-45-7 Catalog No: AG001NMK MDL No:MFCD17012130
Product Description
Catalog Number:
AG001NMK
Chemical Name:
4H-Pyran-2-carboxylic acid, 4-oxo-, ethyl ester
CAS Number:
1551-45-7
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD17012130
IUPAC Name:
ethyl 4-oxopyran-2-carboxylate
InChI:
InChI=1S/C8H8O4/c1-2-11-8(10)7-5-6(9)3-4-12-7/h3-5H,2H2,1H3
InChI Key:
YMLYKYFIFFAKJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)cco1
Properties
Complexity:
262
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:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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