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2-Oxopropanal isopropylhydrazone

HCID 86650487
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Basic information

Standard SMILES
CC(=O)C=NNC(C)C
InChIKey
YZIHUNZXNYQKDM-UHFFFAOYSA-N
Molecular formula
C6H12N2O
Average molar mass
128.17 g/mol

Names & identifiers

Preferred name
2-Oxopropanal isopropylhydrazone
IUPAC
1-(propan-2-ylhydrazinylidene)propan-2-one

Names & synonyms

2-oxopropanal isopropylhydrazoneSCHEMBL1144193YZIHUNZXNYQKDM-UHFFFAOYSA-N

Database identifiers

PubChem CID
86650487

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
118

Related reactions

2 records
New reaction record
HRID 115609 reaction equation
HRID 115609As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1880329 reaction equation
HRID 1880329As productuspto-grants-2012_11

Compound notes

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