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1951-36-6 | 1,4-Benzenedicarboxaldehyde, 2,5-dihydroxy-
CAS No: 1951-36-6 Catalog No: AG007RDN MDL No:MFCD22055335
Product Description
Catalog Number:
AG007RDN
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2,5-dihydroxy-
CAS Number:
1951-36-6
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
MDL Number:
MFCD22055335
IUPAC Name:
2,5-dihydroxyterephthalaldehyde
InChI:
InChI=1S/C8H6O4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-4,11-12H
InChI Key:
PIWMYUGNZBJTID-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c(cc1O)C=O
Properties
Complexity:
160
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:
1.2
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