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3-Phenyl-2-propenal oxime

HCID 89369
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
13372-81-1
Standard SMILES
ON=CC=Cc1ccccc1
InChIKey
RUQDOYIAKHIMAN-UHFFFAOYSA-N
Molecular formula
C9H9NO
Average molar mass
147.17 g/mol
Monoisotopic mass
147.06841391

Names & identifiers

Preferred name
3-Phenyl-2-propenal oxime
IUPAC
N-cinnamylidenehydroxylamine

Names & synonyms

3-Phenyl-2-propenal oxime3-phenylprop-2-enal oximeNCIOpen2_000932SCHEMBL9173595RUQDOYIAKHIMAN-UHFFFAOYSA-NDTXSID901312677AKOS030255816DB-015144NS00050726N-(3-phenylprop-2-en-1-ylidene)hydroxylamine

Database identifiers

CAS
13372-81-1
PubChem CID
89369
DTXSID
DTXSID901312677

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
32.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
146

Related reactions

4 records
New reaction record
HRID 48126 reaction equation
HRID 48126As reactantuspto-grants-2004_03
HRID 1229670 reaction equation
HRID 1229670As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1506650 reaction equation
HRID 1506650As reactantuspto-grants-2015_12
HRID 1755767 reaction equation
HRID 1755767As productuspto-grants-1995_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes