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(Q76854535)
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English
3-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
196.182715388
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₂₄O
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canonical SMILES
CC1(C)C2CCC1(C)C(CCCO)C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@]12CC[C@H](C1(C)C)C[C@@H]2CCCO
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Identifiers
InChI
InChI=1S/C13H24O/c1-12(2)10-6-7-13(12,3)11(9-10)5-4-8-14/h10-11,14H,4-9H2,1-3H3/t10-,11-,13-/m0/s1
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InChIKey
CMDQRTJEYKKXDB-GVXVVHGQSA-N
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CAS Registry Number
7070-15-7
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PubChem CID
121232767
1 reference
matched by identifier from
InChIKey
InChIKey
CMDQRTJEYKKXDB-GVXVVHGQSA-N
UniChem compound ID
147694262
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID1052452
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID3031024
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AICS Chemical ID (BEING DELETED)
10831
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