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2,4-Dihydroxy-6-methylbenzaldehyde

CAT: 0572-TRC-D480863-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D480863-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
487-69-4
Synonyms
2,4-Dihydroxy-6-methylbenzaldehyde;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cc1cc(O)cc(O)c1C=O
Molecular Formula
C8 H8 O3
Molecular Weight
152.147
InChI
InChI=1S/C8H8O3/c1-5-2-6(10)3-8(11)7(5)4-9/h2-4,10-11H,1H3
Additionnal Information
IUPAC name: 2,4-dihydroxy-6-methylbenzaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

o-Orsellinaldehyde

2,4-dihydroxy-6-methylbenzaldehyde is a dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogen at position 6 has been replaced by a methyl group. It is a fungal metabolite isolated from Grifola frondosa and Phlebiopsis gigantea. It has a role as an anti-inflammatory agent, an apoptosis inducer and a fungal metabolite.

CAS Number487-69-4
PubChem CID251690
IUPAC Name2,4-dihydroxy-6-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
Complexity146
SMILES
CC1=CC(=CC(=C1C=O)O)O
InChI
InChI=1S/C8H8O3/c1-5-2-6(10)3-8(11)7(5)4-9/h2-4,10-11H,1H3
InChIKey
LJFQTUKKYWDRAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of o-Orsellinaldehyde
CAS: 487-69-4
CID: 251690
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
Complexity146
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
FD147432-012,4-Dihydroxy-6-methylbenzaldehyde
sc-3089762,6-Dihydroxy-3-methylbenzaldehyde
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425019-013-Chloro-4,6-dihydroxy-2-methylbenzaldehyde
GTR19272537-013-[ (2,6-dihydroxy-3,4-dimethylphenyl) methyl]-2,4-dihydroxy-6-methylbenzaldehyde
OR1069156-013,4-Dihydroxy-2-methylbenzaldehyde
OR1073602-012,5-Dihydroxy-4-methylbenzaldehyde
OR94457-012,4-Dihydroxy-5-methylbenzaldehyde
OR52629-012,4-Dihydroxy-3-methylbenzaldehyde
GTR19278844-012,4-dihydroxy-6- (4-hydroxy-2-oxopentyl) -3-methylbenzaldehyde

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