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4-Ethoxy-2-hydroxy-benzaldehyde

CAT: 0127-OR964660-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR964660-01Size:1 g
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CAS Number
43057-77-8
MDL Number
MFCD03032734
Purity
98%
Smiles
CCOc1ccc(C=O)c(O)c1

Chemical Information

4-Ethoxy-2-hydroxybenzaldehyde
CAS Number43057-77-8
PubChem CID2396511
IUPAC Name4-ethoxy-2-hydroxybenzaldehyde
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity147
SMILES
CCOC1=CC(=C(C=C1)C=O)O
InChI
InChI=1S/C9H10O3/c1-2-12-8-4-3-7(6-10)9(11)5-8/h3-6,11H,2H2,1H3
InChIKey
YQHAGJMEOJLAJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethoxy-2-hydroxybenzaldehyde
CAS: 43057-77-8
CID: 2396511
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes