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2-Nitrophenyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
181.037507704
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₇NO₄
0 references
canonical SMILES
CC(=O)OC1=CC=CC=C1[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C8H7NO4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3
0 references
InChIKey
MRCKRGSNLOHYRA-UHFFFAOYSA-N
0 references
CAS Registry Number
610-69-5
1 reference
InChIKey
MRCKRGSNLOHYRA-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=610-69-5
PubChem CID
11890
1 reference
matched by identifier from
InChIKey
InChIKey
MRCKRGSNLOHYRA-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL471777
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MRCKRGSNLOHYRA-UHFFFAOYSA-N
UniChem compound ID
484951
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP002911
0 references
DSSTox substance ID
DTXSID7060590
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
MRCKRGSNLOHYRA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2042937
0 references
NSC number
5397
0 references
EC number
210-233-1
0 references
ECHA Substance Infocard ID
100.009.304
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.009.304
retrieved
29 December 2019
title
2-nitrophenyl acetate
(English)
quotation
CAS no.: 610-69-5
(English)
Human Metabolome Database ID
HMDB0245261
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MRCKRGSNLOHYRA-UHFFFAOYSA-N
UNII
M2F7VE48GB
1 reference
matched by identifier from
InChIKey
InChIKey
MRCKRGSNLOHYRA-UHFFFAOYSA-N
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