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Antifungal agent 21

CAT: 0931-T74220-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74220-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1622299-33-5
Target
Others, Antifungal
Related Pathways
Others, Microbiology/Virology
Bioactivity
Antifungal Agent 21 presents as a promising candidate within the development of novel agrochemical antifungal agents.
Smiles
CC(C)C(=O)c1cc(C)c(O)cc1O
Molecular Formula
C11H14O3
Molecular Weight
194.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(2,4-Dihydroxy-5-methylphenyl)-2-methylpropan-1-one

structure in first source

CAS Number1622299-33-5
PubChem CID141363493
IUPAC Name1-(2,4-dihydroxy-5-methylphenyl)-2-methylpropan-1-one
Molecular FormulaC11H14O3
Molecular Weight194.23
XLogP2.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity213
SMILES
CC1=CC(=C(C=C1O)O)C(=O)C(C)C
InChI
InChI=1S/C11H14O3/c1-6(2)11(14)8-4-7(3)9(12)5-10(8)13/h4-6,12-13H,1-3H3
InChIKey
SQMQAIZXIZXLRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,4-Dihydroxy-5-methylphenyl)-2-methylpropan-1-one
CAS: 1622299-33-5
CID: 141363493
Formula: C11H14O3
MW: 194.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass194.094294304
Monoisotopic Mass194.094294304
Topological Polar Surface Area57.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity213
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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