1-(4-(4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)phenyl)ethan-1-one

Name: 1-(4-(4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)phenyl)ethan-1-one
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CAS No. 439110-57-3
Cat. No. CS-0546632
Molecule weight247.25
Purity≥98%
MDL No.None

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1-(4-(4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)phenyl)ethan-1-one|CS-0546632

Structure of 439110-57-3

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General Information

CAS No. 439110-57-3
Cat. No. CS-0546632
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃N₃O₃
Molecular Weight 247.25
Synonym(s) 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone
SMILES CC(=O)C1=CC=C(C=C1)N2C(=C(N=N2)CO)CO

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 88.24
LogP 0.4545
H_Acceptors 6
H_Donors 2
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(4-(4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)phenyl)ethan-1-one

CAS No. 439110-57-3

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