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21053-90-7 | 3-Furancarboxylic acid, 2,5-dihydro-4-hydroxy-2-oxo-, ethyl ester
CAS No: 21053-90-7 Catalog No: AG002KU4 MDL No:
Product Description
Catalog Number:
AG002KU4
Chemical Name:
3-Furancarboxylic acid, 2,5-dihydro-4-hydroxy-2-oxo-, ethyl ester
CAS Number:
21053-90-7
Molecular Formula:
C7H8O5
Molecular Weight:
172.1354
IUPAC Name:
ethyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate
InChI:
InChI=1S/C7H8O5/c1-2-11-6(9)5-4(8)3-12-7(5)10/h8H,2-3H2,1H3
InChI Key:
NXSHHTJWIOPOBF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(O)COC1=O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.136g/mol
Monoisotopic Mass:
172.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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