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2,8-Dihydroxy-3-naphthoic acid

CAT: 0286-D30090-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
89-35-0
Synonyms
3,5-Dihydroxy-2-naphthoic acid; 3,5-Dihydroxynaphthalene-2-carboxylic acid
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00003982
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; 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

3,5-Dihydroxy-2-naphthoic acid
CAS Number89-35-0
PubChem CID66637
IUPAC Name3,5-dihydroxynaphthalene-2-carboxylic acid
Molecular FormulaC11H8O4
Molecular Weight204.18
XLogP2.5
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity253
SMILES
C1=CC2=CC(=C(C=C2C(=C1)O)O)C(=O)O
InChI
InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)
InChIKey
YELLAPKUWRTITI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dihydroxy-2-naphthoic acid
CAS: 89-35-0
CID: 66637
Formula: C11H8O4
MW: 204.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.18
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass204.04225873
Monoisotopic Mass204.04225873
Topological Polar Surface Area77.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity253
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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