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Home > Aldehydes > 918639-45-9
918639-45-9 | Benzaldehyde, 2,4-dihydroxy-6-(1E,3E)-1,3-pentadien-1-yl-
CAS No: 918639-45-9 Catalog No: AG006OPM MDL No:
Product Description
Catalog Number:
AG006OPM
Chemical Name:
Benzaldehyde, 2,4-dihydroxy-6-(1E,3E)-1,3-pentadien-1-yl-
CAS Number:
918639-45-9
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
2,4-dihydroxy-6-penta-1,3-dienylbenzaldehyde
InChI:
InChI=1S/C12H12O3/c1-2-3-4-5-9-6-10(14)7-12(15)11(9)8-13/h2-8,14-15H,1H3
InChI Key:
OCJOUESZDWTZOX-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/c1cc(O)cc(c1C=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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