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(Q82861018)
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instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
128.083729624
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₇H₁₂O₂
0 references
canonical SMILES
OC1C2CCC(C2)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C[C@H]2C[C@@H]1[C@@H]([C@@H]2O)O
0 references
Identifiers
InChI
InChI=1S/C7H12O2/c8-6-4-1-2-5(3-4)7(6)9/h4-9H,1-3H2/t4-,5+,6+,7-
0 references
InChIKey
HNMVZUWXQLASRL-RNGGSSJXSA-N
0 references
CAS Registry Number
16329-23-0
0 references
PubChem CID
11051668
1 reference
matched by identifier from
InChIKey
InChIKey
HNMVZUWXQLASRL-RNGGSSJXSA-N
UniChem compound ID
12523876
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50878993
0 references
DSSTOX compound identifier
DTXCID301017015
0 references
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