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(Q72488299)
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English
Mecoprop
chemical compound
2-(4-Chloro-2-methylphenoxy)propanoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₁₀H₁₁ClO₃
0 references
canonical SMILES
Cc1cc(Cl)ccc1OC(C)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
0 references
InChIKey
WNTGYJSOUMFZEP-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
7085-19-0
0 references
PubChem CID
7153
1 reference
matched by identifier from
InChIKey
InChIKey
WNTGYJSOUMFZEP-UHFFFAOYSA-N
ChEBI ID
75704
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
SureChEMBL ID
SCHEMBL53198
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WNTGYJSOUMFZEP-UHFFFAOYSA-N
NMRShiftDB structure ID
20040344
1 reference
matched by identifier from
InChIKey
InChIKey
WNTGYJSOUMFZEP-UHFFFAOYSA-N
ICSC ID
0055
0 references
DSSTox substance ID
DTXSID9024194
1 reference
matched by identifier from
InChIKey
InChIKey
WNTGYJSOUMFZEP-UHFFFAOYSA-N
EC number
230-386-8
0 references
ECHA Substance Infocard ID
100.027.624
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.027.624
retrieved
29 December 2019
title
2-(4-chloro-2-methylphenoxy)propionic acid
(English)
quotation
CAS no.: 7085-19-0
(English)
Human Metabolome Database ID
HMDB0254398
1 reference
matched by identifier from
InChIKey
InChIKey
WNTGYJSOUMFZEP-UHFFFAOYSA-N
UNII
74N8TKR9P8
1 reference
matched by identifier from
InChIKey
InChIKey
WNTGYJSOUMFZEP-UHFFFAOYSA-N
HCIS ID
2807
0 references
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