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139776-06-0 | 2,4-Pentadiene-1,1,2,5-tetrol, 1,1,2,5-tetraacetate
CAS No: 139776-06-0 Catalog No: AG001BPD MDL No:
Product Description
Catalog Number:
AG001BPD
Chemical Name:
2,4-Pentadiene-1,1,2,5-tetrol, 1,1,2,5-tetraacetate
CAS Number:
139776-06-0
Molecular Formula:
C13H16O8
Molecular Weight:
300.2613
IUPAC Name:
acetic acid;penta-2,4-diene-1,1,2,5-tetrol
InChI:
InChI=1S/C5H8O4.4C2H4O2/c6-3-1-2-4(7)5(8)9;4*1-2(3)4/h1-3,5-9H;4*1H3,(H,3,4)
InChI Key:
NRVSWJKQTFAVRD-UHFFFAOYSA-N
SMILES:
CC(=O)OC=CC=C(C(OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
372.323g/mol
Monoisotopic Mass:
372.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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