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5-Ethyl-2-hydroxy-3-methoxybenzaldehyde

CAT: 0127-OR1092363Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
42044-93-9
MDL Number
MFCD06740706
Smiles
C (=O) c1c (O) c (OC) cc (CC) c1

Chemical Information

5-Ethyl-2-hydroxy-3-methoxybenzaldehyde
CAS Number42044-93-9
PubChem CID7172048
IUPAC Name5-ethyl-2-hydroxy-3-methoxybenzaldehyde
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP2.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity170
SMILES
CCC1=CC(=C(C(=C1)OC)O)C=O
InChI
InChI=1S/C10H12O3/c1-3-7-4-8(6-11)10(12)9(5-7)13-2/h4-6,12H,3H2,1-2H3
InChIKey
YSHWKKGQACCKOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Ethyl-2-hydroxy-3-methoxybenzaldehyde
CAS: 42044-93-9
CID: 7172048
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity170
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

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