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Methyl 1-(4-hydroxy-3-nitrophenyl)cyclopropanecarboxylate

HCID 59129293
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)C1(c2ccc(O)c([N+](=O)[O-])c2)CC1
InChIKey
WKOCPFRTBOCVKU-UHFFFAOYSA-N
Molecular formula
C11H11NO5
Average molar mass
237.21 g/mol
Monoisotopic mass
237.06372245

Names & identifiers

Preferred name
Methyl 1-(4-hydroxy-3-nitrophenyl)cyclopropanecarboxylate
IUPAC
methyl 1-(4-hydroxy-3-nitrophenyl)cyclopropane-1-carboxylate

Names & synonyms

945244-02-0methyl 1-(4-hydroxy-3-nitrophenyl)cyclopropanecarboxylatemethyl 1-(4-hydroxy-3-nitrophenyl)cyclopropane-1-carboxylate1-(4-hydroxy-3-nitro-phenyl)-cyclopropanecarboxylic acid methyl esterSCHEMBL1464772SCHEMBL31430569WKOCPFRTBOCVKU-UHFFFAOYSA-NDB-297761C93170A1-088471-(4-Hydroxy-3-nitrophenyl)-cyclopropanecarboxylic acid methyl ester

Database identifiers

PubChem CID
59129293

Properties

Computed structural propertiesFilling in

XLogP
2.1
Topological polar surface area
92.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
333

Related reactions

29 records
New reaction record
HRID 39133 reaction equation
HRID 39133As productuspto-grants-2013_09
HRID 39134 reaction equation
HRID 39134As reactantuspto-grants-2013_09
HRID 83697 reaction equation
HRID 83697As productuspto-grants-2014_09
HRID 83698 reaction equation
HRID 83698As reactantuspto-grants-2014_09
HRID 321476 reaction equation
HRID 321476As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 468239 reaction equation
HRID 468239As productuspto-grants-2014_01
HRID 468240 reaction equation
HRID 468240As reactantuspto-grants-2014_01
HRID 503232 reaction equation
HRID 503232As productuspto-grants-2010_08
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Compound notes

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