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N-hydroxy-1-[3-(methoxymethyl)phenyl]-1-(1-methyl-1H-tetrazol-5-yl)methanimine

HCID 136337384
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COCc1cccc(C(=NO)c2nnnn2C)c1
InChIKey
XOYTYIINDBYGBI-UHFFFAOYSA-N
Molecular formula
C11H13N5O2
Average molar mass
247.25 g/mol

Names & identifiers

Preferred name
N-hydroxy-1-[3-(methoxymethyl)phenyl]-1-(1-methyl-1H-tetrazol-5-yl)methanimine
IUPAC
N-[[3-(methoxymethyl)phenyl]-(1-methyltetrazol-5-yl)methylidene]hydroxylamine

Names & synonyms

SCHEMBL1557236XOYTYIINDBYGBI-UHFFFAOYSA-NN-hydroxy-1-[3-(methoxymethyl)phenyl]-1-(1-methyl-1H-tetrazol-5-yl)methanimine

Database identifiers

PubChem CID
136337384

Properties

Computed structural propertiesFilling in

XLogP
1.1
Topological polar surface area
85.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
299

Related reactions

2 records
New reaction record
HRID 452570 reaction equation
HRID 452570As productuspto-grants-2013_07
HRID 684984 reaction equation
HRID 684984As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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