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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO2
Molecular Weight 149.1467
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-ISOCYANATO-4-METHOXYBENZENE

SMILES

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

InChI

InChIKey=FMDGXCSMDZMDHZ-UHFFFAOYSA-N
InChI=1S/C8H7NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7NO2
Molecular Weight 149.1467
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 Tue Apr 01 18:47:17 GMT 2025
Edited
by admin
on Tue Apr 01 18:47:17 GMT 2025
Record UNII
C50O5096NC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-ISOCYANATO-4-METHOXYBENZENE
Systematic Name English
NSC-7321
Preferred Name English
P-METHOXYPHENYL ISOCYANATE
Common Name English
4-ANISYL ISOCYANATE
Systematic Name English
4-METHOXYPHENYL ISOCYANATE
Systematic Name English
BENZENE, 1-ISOCYANATO-4-METHOXY-
Systematic Name English
P-ANISYL ISOCYANATE
Common Name English
ANISOLE, P-ISOCYANATO-
Systematic Name English
4-ISOCYANATOANISOLE
Systematic Name English
ISOCYANIC ACID, P-METHOXYPHENYL ESTER
Systematic Name English
Code System Code Type Description
NSC
7321
Created by admin on Tue Apr 01 18:47:17 GMT 2025 , Edited by admin on Tue Apr 01 18:47:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID6063854
Created by admin on Tue Apr 01 18:47:17 GMT 2025 , Edited by admin on Tue Apr 01 18:47:17 GMT 2025
PRIMARY
PUBCHEM
79443
Created by admin on Tue Apr 01 18:47:17 GMT 2025 , Edited by admin on Tue Apr 01 18:47:17 GMT 2025
PRIMARY
CAS
5416-93-3
Created by admin on Tue Apr 01 18:47:17 GMT 2025 , Edited by admin on Tue Apr 01 18:47:17 GMT 2025
PRIMARY
FDA UNII
C50O5096NC
Created by admin on Tue Apr 01 18:47:17 GMT 2025 , Edited by admin on Tue Apr 01 18:47:17 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-513-1
Created by admin on Tue Apr 01 18:47:17 GMT 2025 , Edited by admin on Tue Apr 01 18:47:17 GMT 2025
PRIMARY