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88207-75-4 | 1,2,4,5-Benzenetetrol, 3-chloro-6-methyl-, tetraacetate
CAS No: 88207-75-4 Catalog No: AG004C39 MDL No:
Product Description
Catalog Number:
AG004C39
Chemical Name:
1,2,4,5-Benzenetetrol, 3-chloro-6-methyl-, tetraacetate
CAS Number:
88207-75-4
Molecular Formula:
C15H23ClO12
Molecular Weight:
430.7889
IUPAC Name:
acetic acid;3-chloro-6-methylbenzene-1,2,4,5-tetrol
InChI:
InChI=1S/C7H7ClO4.4C2H4O2/c1-2-4(9)6(11)3(8)7(12)5(2)10;4*1-2(3)4/h9-12H,1H3;4*1H3,(H,3,4)
InChI Key:
GHQKYXCZFWYUKA-UHFFFAOYSA-N
SMILES:
Cc1c(O)c(O)c(c(c1O)O)Cl.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.088g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
430.787g/mol
Monoisotopic Mass:
430.088g/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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