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(Q76393615)
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English
(3S)-3-amino-3-(3-methylphenyl)propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
179.094628656
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(r)-3-(m-tolyl)-beta-alanine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₃NO₂
0 references
canonical SMILES
Cc1cccc(C(N)CC(=O)O)c1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC(=CC=C1)[C@H](CC(=O)O)N
0 references
Identifiers
InChI
InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
0 references
InChIKey
HMLYKNGYKKJNLC-VIFPVBQESA-N
0 references
CAS Registry Number
701907-44-0
0 references
PubChem CID
6934183
2 references
stated in
PubChemLite tier0 and tier1
matched by identifier from
InChIKey
InChIKey
HMLYKNGYKKJNLC-VIFPVBQESA-N
6934182
1 reference
matched by identifier from
InChIKey
InChIKey
HMLYKNGYKKJNLC-VIFPVBQESA-N
DSSTox substance ID
DTXSID30426158
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
HMLYKNGYKKJNLC-VIFPVBQESA-N
DSSTOX compound identifier
DTXCID80376992
0 references
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