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58343-12-7 | 4,5,6-trihydroxybenzene-1,3-dicarbaldehyde
CAS No: 58343-12-7 Catalog No: AG01C3Q3 MDL No:MFCD24676794
Product Description
Catalog Number:
AG01C3Q3
Chemical Name:
4,5,6-trihydroxybenzene-1,3-dicarbaldehyde
CAS Number:
58343-12-7
Molecular Formula:
C8H6O5
Molecular Weight:
182.1302
MDL Number:
MFCD24676794
IUPAC Name:
4,5,6-trihydroxybenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C8H6O5/c9-2-4-1-5(3-10)7(12)8(13)6(4)11/h1-3,11-13H
InChI Key:
RUJNFDVEPQRMOS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C=O)c(c(c1O)O)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.131g/mol
Monoisotopic Mass:
182.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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