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English
2-Methyl-4-nitrobenzoic acid methyl ester
chemical compound
Methyl 2-methyl-4-nitrobenzoate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
195.1724
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₉NO₄
0 references
canonical SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC
0 references
Identifiers
InChI
InChI=1S/C9H9NO4/c1-6-5-7(10(12)13)3-4-8(6)9(11)14-2/h3-5H,1-2H3
0 references
InChIKey
JJHCLPDHYBSSHC-UHFFFAOYSA-N
0 references
CAS Registry Number
62621-09-4
0 references
PubChem CID
15088700
1 reference
matched by identifier from
InChIKey
InChIKey
JJHCLPDHYBSSHC-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1163261
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JJHCLPDHYBSSHC-UHFFFAOYSA-N
UniChem compound ID
18606659
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70568026
1 reference
matched by identifier from
InChIKey
InChIKey
JJHCLPDHYBSSHC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30518800
0 references
UNII
WFH9F997GL
1 reference
matched by identifier from
InChIKey
InChIKey
JJHCLPDHYBSSHC-UHFFFAOYSA-N
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