(Q72459636)

English

trans-1,2-Cyclohexanedicarboxylic acid

chemical compound

trans-Hexahydrophthalic acid

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

172.073558864 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(1R,2R)-cyclohexane-1,2-dicarboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₈H₁₂O₄

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canonical SMILES

O=C(O)C1CCCCC1C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)O)C(=O)O

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melting point

221.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m0/s1

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InChIKey

QSAWQNUELGIYBC-WDSKDSINSA-N

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0 references

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2 references

inferred from InChIKey

matched by identifier from

InChIKey

QSAWQNUELGIYBC-WDSKDSINSA-N

1 reference

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DSSTOX compound identifier

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218-975-8

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ECHA Substance Infocard ID

100.017.251

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.017.251

retrieved

29 December 2019

title

trans-cyclohexane-1,2-dicarboxylic acid (English)

quotation

CAS no.: 2305-32-0 (English)

(Q72459636)

trans-1,2-Cyclohexanedicarboxylic acid

Statements

Identifiers

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