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Home > Aldehydes > 848154-73-4
848154-73-4 | 1,4-Benzenedicarboxaldehyde, 2,6-dihydroxy-
CAS No: 848154-73-4 Catalog No: AG004NF1 MDL No:
Product Description
Catalog Number:
AG004NF1
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2,6-dihydroxy-
CAS Number:
848154-73-4
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
IUPAC Name:
2,6-dihydroxyterephthalaldehyde
InChI:
InChI=1S/C8H6O4/c9-3-5-1-7(11)6(4-10)8(12)2-5/h1-4,11-12H
InChI Key:
IBFFKRNDTXIWTI-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c(c(c1)O)C=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.132g/mol
Monoisotopic Mass:
166.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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