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(Q72488153)
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English
DL-Mandelic acid
chemical compound
DL-2-hydroxy-2-phenylacetic acid
(+/-)-alpha-Hydroxyphenylacetic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₈H₈O₃
0 references
canonical SMILES
O=C(O)C(O)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
0 references
InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
611-72-3
0 references
PubChem CID
1292
1 reference
matched by identifier from
InChIKey
InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
ChEBI ID
35825
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
SureChEMBL ID
SCHEMBL1050
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
NMRShiftDB structure ID
10005707
1 reference
matched by identifier from
InChIKey
InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
DSSTox substance ID
DTXSID6023234
1 reference
matched by identifier from
InChIKey
InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
EC number
210-277-1
0 references
ECHA Substance Infocard ID
100.009.344
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.009.344
retrieved
29 December 2019
title
DL-2-hydroxy-2-phenylacetic acid
(English)
quotation
CAS no.: 611-72-3
(English)
DrugBank ID
DB13218
1 reference
matched by identifier from
InChIKey
InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
KNApSAcK ID
C00052341
1 reference
matched by identifier from
InChIKey
InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
UNII
NH496X0UJX
1 reference
matched by identifier from
InChIKey
InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
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