(Q82776588)

English

Acetic acid--(1S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]hept-2-en-2-ol (1/1)

group of stereoisomers with the chemical formula C₁₂H₁₈O₃

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Statements

group of stereoisomers

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chemical compound

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210.125594436 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₂H₁₈O₃

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based on heuristic

inferred from SMILES

canonical SMILES

C=C1C=C(O)C2CC1C2(C)C.CC(=O)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=C1C=C(O)[C@H]2CC1C2(C)C.CC(=O)O

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C10H14O.C2H4O2/c1-6-4-9(11)8-5-7(6)10(8,2)3;1-2(3)4/h4,7-8,11H,1,5H2,2-3H3;1H3,(H,3,4)/t7?,8-;/m1./s1

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SBRJNESVLVYMCL-LTTWWRRRSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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