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13042-39-2 | 1,4
CAS No: 13042-39-2 Catalog No: AG009AKL MDL No:MFCD09264290
Product Description
Catalog Number:
AG009AKL
Chemical Name:
1,4
CAS Number:
13042-39-2
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
MDL Number:
MFCD09264290
IUPAC Name:
[(3R,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate
InChI:
InChI=1S/C8H12O5/c1-4(9)13-6-3-12-7-5(10)2-11-8(6)7/h5-8,10H,2-3H2,1H3/t5-,6+,7-,8-/m1/s1
InChI Key:
ASUQMWUAFHPXOG-ULAWRXDQSA-N
SMILES:
CC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
EC Number:
235-917-7
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
188.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.179g/mol
Monoisotopic Mass:
188.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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