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Methyl 4-(hydrazinecarbonyl)benzoate

HCID 596004
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc(C(=O)NN)cc1
InChIKey
HGVBEQHEDXPHBI-UHFFFAOYSA-N
Molecular formula
C9H10N2O3
Average molar mass
194.19 g/mol

Names & identifiers

Preferred name
Methyl 4-(hydrazinecarbonyl)benzoate
IUPAC
methyl 4-(hydrazinecarbonyl)benzoate

Names & synonyms

methyl 4-(hydrazinecarbonyl)benzoateMethyl 4-(hydrazinocarbonyl)benzoate13188-55-1Maybridge4_000405p-methoxycarbonylbenzhydrazide4-methoxycarbonylbenzhydrazidep-carbmethoxybenzoyl hydrazineMLS000851097p-methoxycarbonylbenzoylhydrazineSCHEMBL1302573SCHEMBL5170968CHEMBL1543137
Show more names
HMS1522C09HMS2799P10AKOS006223177Methyl 4-(hydrazinocarbonyl)benzoate #IDI1_030987NCGC00177615-01SMR0004573404-Hydrazinocarbonyl-benzoic acid methyl ester

Database identifiers

PubChem CID
596004
ChEMBL
CHEMBL1543137
Nikkaji
J33.495B

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
81.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
222

Experimental & physicochemical properties

Solubility25.1 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

19 records
New reaction record
HRID 44222 reaction equation
HRID 44222As productuspto-grants-2013_09
HRID 44223 reaction equation
HRID 44223As reactantuspto-grants-2013_09
HRID 156806 reaction equation
HRID 156806As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 261155 reaction equation
HRID 261155As reactantuspto-grants-1979_08
HRID 555597 reaction equation
HRID 555597As reactantuspto-grants-2011_11
HRID 555599 reaction equation
HRID 555599As reactantuspto-grants-2011_11
HRID 555600 reaction equation
HRID 555600As reactantuspto-grants-2011_11
HRID 555601 reaction equation
HRID 555601As reactantuspto-grants-2011_11
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Compound notes

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