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(Q82936340)
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English
3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
225.10010796
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₅NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1ccc(C(N)CC(=O)O)cc1OC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)
0 references
InChIKey
FGCXSFRGPCUBPW-UHFFFAOYSA-N
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CAS Registry Number
34840-85-2
0 references
PubChem CID
597182
1 reference
matched by identifier from
InChIKey
InChIKey
FGCXSFRGPCUBPW-UHFFFAOYSA-N
3621182
1 reference
matched by identifier from
InChIKey
InChIKey
FGCXSFRGPCUBPW-UHFFFAOYSA-N
DSSTox substance ID
DTXSID80956314
1 reference
matched by identifier from
InChIKey
InChIKey
FGCXSFRGPCUBPW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40893074
0 references
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