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24924-09-2 | 1,2,3,5-Benzenetetrol, 1,2,3,5-tetraacetate
CAS No: 24924-09-2 Catalog No: AG002PVH MDL No:
Product Description
Catalog Number:
AG002PVH
Chemical Name:
1,2,3,5-Benzenetetrol, 1,2,3,5-tetraacetate
CAS Number:
24924-09-2
Molecular Formula:
C14H14O8
Molecular Weight:
310.2562
IUPAC Name:
acetic acid;benzene-1,2,3,5-tetrol
InChI:
InChI=1S/C6H6O4.4C2H4O2/c7-3-1-4(8)6(10)5(9)2-3;4*1-2(3)4/h1-2,7-10H;4*1H3,(H,3,4)
InChI Key:
SXIZJKZWMLIKFJ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(OC(=O)C)c(c(c1)OC(=O)C)OC(=O)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
382.318g/mol
Monoisotopic Mass:
382.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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