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123355-00-0 | 5-Cyclohexene-1,2,3,4-tetrol, 1,2,3,4-tetraacetate, (1R,2R,3S,4R)-
CAS No: 123355-00-0 Catalog No: AG000KFV MDL No:
Product Description
Catalog Number:
AG000KFV
Chemical Name:
5-Cyclohexene-1,2,3,4-tetrol, 1,2,3,4-tetraacetate, (1R,2R,3S,4R)-
CAS Number:
123355-00-0
Molecular Formula:
C14H18O8
Molecular Weight:
314.2879
IUPAC Name:
acetic acid;cyclohex-5-ene-1,2,3,4-tetrol
InChI:
InChI=1S/C6H10O4.4C2H4O2/c7-3-1-2-4(8)6(10)5(3)9;4*1-2(3)4/h1-10H;4*1H3,(H,3,4)
InChI Key:
PFBIFYGTDMTYEJ-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@@H]1[C@@H](C=C[C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
386.35g/mol
Monoisotopic Mass:
386.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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