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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO3
Molecular Weight 179.1727
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIMETHOXYPHENYL ISOCYANATE

SMILES

COC1=CC(OC)=C(C=C1)N=C=O

InChI

InChIKey=WRAZHLRMDRTLOZ-UHFFFAOYSA-N
InChI=1S/C9H9NO3/c1-12-7-3-4-8(10-6-11)9(5-7)13-2/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H9NO3
Molecular Weight 179.1727
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:39:42 GMT 2023
Edited
by admin
on Sat Dec 16 12:39:42 GMT 2023
Record UNII
BBD3Y6XDN3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DIMETHOXYPHENYL ISOCYANATE
Systematic Name English
1-ISOCYANATO-2,4-DIMETHOXYBENZENE
Systematic Name English
BENZENE, 1-ISOCYANATO-2,4-DIMETHOXY-
Systematic Name English
2,4-DIMETHOXY-1-ISOCYANATOBENZENE
Common Name English
Code System Code Type Description
FDA UNII
BBD3Y6XDN3
Created by admin on Sat Dec 16 12:39:42 GMT 2023 , Edited by admin on Sat Dec 16 12:39:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
282-747-4
Created by admin on Sat Dec 16 12:39:42 GMT 2023 , Edited by admin on Sat Dec 16 12:39:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID30233349
Created by admin on Sat Dec 16 12:39:42 GMT 2023 , Edited by admin on Sat Dec 16 12:39:42 GMT 2023
PRIMARY
PUBCHEM
601637
Created by admin on Sat Dec 16 12:39:42 GMT 2023 , Edited by admin on Sat Dec 16 12:39:42 GMT 2023
PRIMARY
CAS
84370-87-6
Created by admin on Sat Dec 16 12:39:42 GMT 2023 , Edited by admin on Sat Dec 16 12:39:42 GMT 2023
PRIMARY