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57595-23-0 | Methyl 4-oxotetrahydrofuran-3-carboxylate
CAS No: 57595-23-0 Catalog No: AG00357R MDL No:MFCD19707049
Product Description
Catalog Number:
AG00357R
Chemical Name:
Methyl 4-oxotetrahydrofuran-3-carboxylate
CAS Number:
57595-23-0
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
MDL Number:
MFCD19707049
IUPAC Name:
methyl 4-oxooxolane-3-carboxylate
InChI:
InChI=1S/C6H8O4/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
InChI Key:
FCUDJBUBWCJOLK-UHFFFAOYSA-N
SMILES:
COC(=O)C1COCC1=O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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