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89227-40-7 | 1,4-Naphthalenedione, 6-chloro-2,3-dihydro-2,2,3,3-tetrahydroxy-
CAS No: 89227-40-7 Catalog No: AG0043G5 MDL No:
Product Description
Catalog Number:
AG0043G5
Chemical Name:
1,4-Naphthalenedione, 6-chloro-2,3-dihydro-2,2,3,3-tetrahydroxy-
CAS Number:
89227-40-7
Molecular Formula:
C10H7ClO6
Molecular Weight:
258.6120
IUPAC Name:
6-chloro-2,2,3,3-tetrahydroxynaphthalene-1,4-dione
InChI:
InChI=1S/C10H7ClO6/c11-4-1-2-5-6(3-4)8(13)10(16,17)9(14,15)7(5)12/h1-3,14-17H
InChI Key:
NYHSRGLXTUXXSY-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)C(C(C2=O)(O)O)(O)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.993g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
258.61g/mol
Monoisotopic Mass:
257.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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