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(Q63409687)
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ethyl 3-nitrobenzoate
chemical compound
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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
CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
0 references
melting point
42.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3
0 references
InChIKey
MKBIJCPQTPFQKQ-UHFFFAOYSA-N
0 references
CAS Registry Number
618-98-4
1 reference
InChIKey
MKBIJCPQTPFQKQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=618-98-4
PubChem CID
69261
0 references
UniChem compound ID
10171517
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP009666
0 references
DSSTox substance ID
DTXSID0060692
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID4043143
0 references
NSC number
6762
0 references
32740
0 references
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