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(Q82241321)
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English
(S)-1,4-pentanediol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
104.083729624
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₅H₁₂O₂
0 references
canonical SMILES
CC(O)CCCO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](CCCO)O
0 references
Identifiers
InChI
InChI=1S/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3/t5-/m0/s1
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InChIKey
GLOBUAZSRIOKLN-YFKPBYRVSA-N
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CAS Registry Number
24347-57-7
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PubChem CID
7271800
1 reference
matched by identifier from
InChIKey
InChIKey
GLOBUAZSRIOKLN-YFKPBYRVSA-N
UniChem compound ID
5813644
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20428489
1 reference
matched by identifier from
InChIKey
InChIKey
GLOBUAZSRIOKLN-YFKPBYRVSA-N
DSSTOX compound identifier
DTXCID40379323
0 references
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