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Atranol

CAT: 0013-GTR19266241-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266241-02Size:10 mg
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Description
Atranol is a potent sensitizer found in oakmoss extract. It causes contact dermatitis by triggering an allergic response in the immune system. Atranol holds potential for research into the causes of contact dermatitis and allergens in cosmetics.
CAS Number
526-37-4
Smiles
O=CC1=C (O) C=C (C=C1O) C
Molecular Formula
C8H8O3
Molecular Weight
152.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,6-Dihydroxy-4-Methylbenzaldehyde

Atranol is a hydroxybenzaldehyde.

CAS Number526-37-4
PubChem CID458186
IUPAC Name2,6-dihydroxy-4-methylbenzaldehyde
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP1.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
CC1=CC(=C(C(=C1)O)C=O)O
InChI
InChI=1S/C8H8O3/c1-5-2-7(10)6(4-9)8(11)3-5/h2-4,10-11H,1H3
InChIKey
JASONGFGOLHLGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dihydroxy-4-Methylbenzaldehyde
CAS: 526-37-4
CID: 458186
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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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