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86387-69-1 | ethyl 4,5-dioxotetrahydrofuran-3-carboxylate
CAS No: 86387-69-1 Catalog No: AG004OC2 MDL No:
Product Description
Catalog Number:
AG004OC2
Chemical Name:
ethyl 4,5-dioxotetrahydrofuran-3-carboxylate
CAS Number:
86387-69-1
Molecular Formula:
C7H8O5
Molecular Weight:
172.1354
IUPAC Name:
ethyl 4,5-dioxooxolane-3-carboxylate
InChI:
InChI=1S/C7H8O5/c1-2-11-6(9)4-3-12-7(10)5(4)8/h4H,2-3H2,1H3
InChI Key:
REFBOLOBVVBMCI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1COC(=O)C1=O
NSC Number:
99026
Properties
Complexity:
232
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:
0
Isotope Atom Count:
0
Molecular Weight:
172.136g/mol
Monoisotopic Mass:
172.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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