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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO4
Molecular Weight 181.1455
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'-HYDROXY-5'-NITROACETOPHENONE

SMILES

CC(=O)C1=C(O)C=CC(=C1)[N+]([O-])=O

InChI

InChIKey=LNCBPUWMGYOISS-UHFFFAOYSA-N
InChI=1S/C8H7NO4/c1-5(10)7-4-6(9(12)13)2-3-8(7)11/h2-4,11H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7NO4
Molecular Weight 181.1455
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
X-N charge density analysis of the hydrogen bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanone.
2003 Apr 7
New benzofuran derivatives as an antioxidant agent.
2010 Mar
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 20:38:50 GMT 2023
Edited
by admin
on Fri Dec 15 20:38:50 GMT 2023
Record UNII
GAB9X531N3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2'-HYDROXY-5'-NITROACETOPHENONE
Systematic Name English
1-(2-HYDROXY-5-NITROPHENYL)ETHANONE
Systematic Name English
NSC-64461
Code English
Code System Code Type Description
CAS
1450-76-6
Created by admin on Fri Dec 15 20:38:50 GMT 2023 , Edited by admin on Fri Dec 15 20:38:50 GMT 2023
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NSC
64461
Created by admin on Fri Dec 15 20:38:50 GMT 2023 , Edited by admin on Fri Dec 15 20:38:50 GMT 2023
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EPA CompTox
DTXSID10162865
Created by admin on Fri Dec 15 20:38:50 GMT 2023 , Edited by admin on Fri Dec 15 20:38:50 GMT 2023
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PUBCHEM
248079
Created by admin on Fri Dec 15 20:38:50 GMT 2023 , Edited by admin on Fri Dec 15 20:38:50 GMT 2023
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FDA UNII
GAB9X531N3
Created by admin on Fri Dec 15 20:38:50 GMT 2023 , Edited by admin on Fri Dec 15 20:38:50 GMT 2023
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