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Home > Aldehydes > 139953-99-4
139953-99-4 | Benzaldehyde, 2,4-dihydroxy-6-(2-hydroxy-2-methylpropoxy)-
CAS No: 139953-99-4 Catalog No: AG001BUN MDL No:
Product Description
Catalog Number:
AG001BUN
Chemical Name:
Benzaldehyde, 2,4-dihydroxy-6-(2-hydroxy-2-methylpropoxy)-
CAS Number:
139953-99-4
Molecular Formula:
C11H14O5
Molecular Weight:
226.2259
IUPAC Name:
2,4-dihydroxy-6-(2-hydroxy-2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C11H14O5/c1-11(2,15)6-16-10-4-7(13)3-9(14)8(10)5-12/h3-5,13-15H,6H2,1-2H3
InChI Key:
OWCOWEZOBNMPMA-UHFFFAOYSA-N
SMILES:
O=Cc1c(OCC(O)(C)C)cc(cc1O)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.228g/mol
Monoisotopic Mass:
226.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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