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Details

Stereochemistry ACHIRAL
Molecular Formula C11H11NO3
Molecular Weight 205.2099
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methyl-4-(3-nitrophenyl)-3-butyn-2-ol

SMILES

CC(C)(O)C#CC1=CC=CC(=C1)[N+]([O-])=O

InChI

InChIKey=SFSQLOPNXVVBLC-UHFFFAOYSA-N
InChI=1S/C11H11NO3/c1-11(2,13)7-6-9-4-3-5-10(8-9)12(14)15/h3-5,8,13H,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H11NO3
Molecular Weight 205.2099
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:25:09 GMT 2023
Edited
by admin
on Sat Dec 16 12:25:09 GMT 2023
Record UNII
MBN4CQS2DX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Methyl-4-(3-nitrophenyl)-3-butyn-2-ol
Systematic Name English
4-(3-Nitrophenyl)-2-methylbut-3-yn-2-ol
Systematic Name English
3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-
Systematic Name English
Code System Code Type Description
CAS
33432-52-9
Created by admin on Sat Dec 16 12:25:09 GMT 2023 , Edited by admin on Sat Dec 16 12:25:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
251-520-1
Created by admin on Sat Dec 16 12:25:09 GMT 2023 , Edited by admin on Sat Dec 16 12:25:09 GMT 2023
PRIMARY
FDA UNII
MBN4CQS2DX
Created by admin on Sat Dec 16 12:25:09 GMT 2023 , Edited by admin on Sat Dec 16 12:25:09 GMT 2023
PRIMARY
PUBCHEM
118480
Created by admin on Sat Dec 16 12:25:10 GMT 2023 , Edited by admin on Sat Dec 16 12:25:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID0067767
Created by admin on Sat Dec 16 12:25:09 GMT 2023 , Edited by admin on Sat Dec 16 12:25:09 GMT 2023
PRIMARY