(Q72497070)

English

N-Methylpyrrole-2-carboxylic acid

chemical compound

1-Methyl-1H-pyrrole-2-carboxylic acid

In more languages

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

125.047678464 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆H₇NO₂

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canonical SMILES

CN1C=CC=C1C(=O)O

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melting point

137.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9)

0 references

InChIKey

ILAOVOOZLVGAJF-UHFFFAOYSA-N

0 references

1 reference

7 April 2021

https://commonchemistry.cas.org/detail?cas_rn=6973-60-0

InChIKey

ILAOVOOZLVGAJF-UHFFFAOYSA-N

PubChem CID

81453

1 reference

matched by identifier from

InChIKey

ILAOVOOZLVGAJF-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL335459

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ILAOVOOZLVGAJF-UHFFFAOYSA-N

1 reference

NMRShiftDB structure ID

10021724

1 reference

matched by identifier from

InChIKey

ILAOVOOZLVGAJF-UHFFFAOYSA-N

DSSTox substance ID

DTXSID70220031

1 reference

matched by identifier from

InChIKey

ILAOVOOZLVGAJF-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

0 references

230-217-8

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ECHA Substance Infocard ID

100.027.471

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.027.471

retrieved

29 December 2019

title

N-methylpyrrole-2-carboxylic acid (English)

quotation

CAS no.: 6973-60-0 (English)

UNII

SBR5D3SAQ7

1 reference

matched by identifier from

InChIKey

ILAOVOOZLVGAJF-UHFFFAOYSA-N

(Q72497070)

N-Methylpyrrole-2-carboxylic acid

Statements

Identifiers

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