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2-Hydroxy-3-iodo-4-methoxybenzaldehyde

CAT: 0127-OR1056087-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1056087-01Size:100 mg
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CAS Number
155560-24-0
MDL Number
MFCD28401496
Purity
97%
Smiles
O=CC1=CC=C(OC)C(I)=C1O

Chemical Information

2-Hydroxy-3-iodo-4-methoxybenzaldehyde
CAS Number155560-24-0
PubChem CID19089057
IUPAC Name2-hydroxy-3-iodo-4-methoxybenzaldehyde
Molecular FormulaC8H7IO3
Molecular Weight278.04
XLogP2.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
COC1=C(C(=C(C=C1)C=O)O)I
InChI
InChI=1S/C8H7IO3/c1-12-6-3-2-5(4-10)8(11)7(6)9/h2-4,11H,1H3
InChIKey
WHBYIQRFHSRAQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-3-iodo-4-methoxybenzaldehyde
CAS: 155560-24-0
CID: 19089057
Formula: C8H7IO3
MW: 278.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.04
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass277.94399
Monoisotopic Mass277.94399
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
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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