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16790-41-3 | 1,2-Benzenedicarboxaldehyde,3,4,5-trihydroxy-
CAS No: 16790-41-3 Catalog No: AG007CEY MDL No:
Product Description
Catalog Number:
AG007CEY
Chemical Name:
1,2-Benzenedicarboxaldehyde,3,4,5-trihydroxy-
CAS Number:
16790-41-3
Molecular Formula:
C8H6O5
Molecular Weight:
182.1302
IUPAC Name:
3,4,5-trihydroxyphthalaldehyde
InChI:
InChI=1S/C8H6O5/c9-2-4-1-6(11)8(13)7(12)5(4)3-10/h1-3,11-13H
InChI Key:
BSOXVRQPIPFIDU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c(c(c1C=O)O)O
Properties
Complexity:
205
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:
0.3
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