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7776-21-8 | [(2s)-4-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetyl hydrogen carbonate
CAS No: 7776-21-8 Catalog No: AG005G1F MDL No:
Product Description
Catalog Number:
AG005G1F
Chemical Name:
[(2s)-4-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetyl hydrogen carbonate
CAS Number:
7776-21-8
Molecular Formula:
C7H6O7
Molecular Weight:
202.1183
IUPAC Name:
carboxy 2-[(2S)-4-hydroxy-5-oxo-2H-furan-2-yl]acetate
InChI:
InChI=1S/C7H6O7/c8-4-1-3(13-6(4)10)2-5(9)14-7(11)12/h1,3,8H,2H2,(H,11,12)/t3-/m1/s1
InChI Key:
WAEYLBYMNVAENL-GSVOUGTGSA-N
SMILES:
O=C(C[C@@H]1OC(=O)C(=C1)O)OC(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.011g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.118g/mol
Monoisotopic Mass:
202.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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