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3-Formyl-4-hydroxybenzoic acid 97%

CAT: 0286-F05475Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-F05475Size:1 g
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CAS Number
584-87-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00016595
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H317 May cause an allergic skin reaction; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

4-Hydroxy-5-formylbenzoic acid
CAS Number584-87-2
PubChem CID271761
IUPAC Name3-formyl-4-hydroxybenzoic acid
Molecular FormulaC8H6O4
Molecular Weight166.13
XLogP1.5
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity189
SMILES
C1=CC(=C(C=C1C(=O)O)C=O)O
InChI
InChI=1S/C8H6O4/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-4,10H,(H,11,12)
InChIKey
NXZBZWZORYEIJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-5-formylbenzoic acid
CAS: 584-87-2
CID: 271761
Formula: C8H6O4
MW: 166.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.13
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass166.02660867
Monoisotopic Mass166.02660867
Topological Polar Surface Area74.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity189
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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