U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C5H9NO4
Molecular Weight 147.1293
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-5-NITRO-1,3-DIOXANE

SMILES

CC1(COCOC1)[N+]([O-])=O

InChI

InChIKey=AENNTASTLOXXMY-UHFFFAOYSA-N
InChI=1S/C5H9NO4/c1-5(6(7)8)2-9-4-10-3-5/h2-4H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
5-METHYL-5-NITRO-1,3-DIOXANE
Systematic Name English
M-DIOXANE, 5-METHYL-5-NITRO-
Systematic Name English
1,3-DIOXANE, 5-METHYL-5-NITRO-
Systematic Name English
5-NITRO-5-METHYL-1,3-DIOXANE
Systematic Name English
NSC-50313
Code English
Code System Code Type Description
NSC
50313
Created by admin on Sat Dec 16 12:51:42 GMT 2023 , Edited by admin on Sat Dec 16 12:51:42 GMT 2023
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PUBCHEM
14518
Created by admin on Sat Dec 16 12:51:42 GMT 2023 , Edited by admin on Sat Dec 16 12:51:42 GMT 2023
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CAS
1194-36-1
Created by admin on Sat Dec 16 12:51:42 GMT 2023 , Edited by admin on Sat Dec 16 12:51:42 GMT 2023
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FDA UNII
U2GJ795Y2G
Created by admin on Sat Dec 16 12:51:42 GMT 2023 , Edited by admin on Sat Dec 16 12:51:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID30152445
Created by admin on Sat Dec 16 12:51:42 GMT 2023 , Edited by admin on Sat Dec 16 12:51:42 GMT 2023
PRIMARY