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4-hydroxy-5-methoxy-2-nitrobenzaldehyde

CAT: 0024-sc-277426Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-277426Size:250 mg
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CAS Number
2454-72-0

Chemical Information

4-Hydroxy-5-methoxy-2-nitrobenzaldehyde
CAS Number2454-72-0
PubChem CID220398
IUPAC Name4-hydroxy-5-methoxy-2-nitrobenzaldehyde
Molecular FormulaC8H7NO5
Molecular Weight197.14
XLogP0.8
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity226
SMILES
COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])O
InChI
InChI=1S/C8H7NO5/c1-14-8-2-5(4-10)6(9(12)13)3-7(8)11/h2-4,11H,1H3
InChIKey
INFACQKUQJGVFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-5-methoxy-2-nitrobenzaldehyde
CAS: 2454-72-0
CID: 220398
Formula: C8H7NO5
MW: 197.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.14
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass197.03242232
Monoisotopic Mass197.03242232
Topological Polar Surface Area92.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity226
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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Alternative Products

CatalogName
CAA45472-014-hydroxy-5-methoxy-2-nitrobenzaldehyde
OR1039350-015-Hydroxy-4-methoxy-2-nitrobenzaldehyde
OR470435-013-Hydroxy-4-methoxy-5-nitrobenzaldehyde
FH69869-012-Hydroxy-3-methoxy-5-nitrobenzaldehyde
FH70278-012-Hydroxy-5-methoxy-3-nitrobenzaldehyde
VAA04161-012-Hydroxy-3-methoxy-4-nitrobenzaldehyde
279612-013-Hydroxy-4-methoxy-2-nitrobenzaldehyde
OR55157-014-Hydroxy-3-methoxy-2-nitrobenzaldehyde
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