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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8N2O3
Molecular Weight 192.1714
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (3-Isocyanato-4-methylphenyl)carbamic acid

SMILES

CC1=CC=C(NC(O)=O)C=C1N=C=O

InChI

InChIKey=XBCMSWYSCLLEJG-UHFFFAOYSA-N
InChI=1S/C9H8N2O3/c1-6-2-3-7(11-9(13)14)4-8(6)10-5-12/h2-4,11H,1H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C9H8N2O3
Molecular Weight 192.1714
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 18:38:35 GMT 2023
Edited
by admin
on Sat Dec 16 18:38:35 GMT 2023
Record UNII
VB7AF7VKE2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3-Isocyanato-4-methylphenyl)carbamic acid
Systematic Name English
N-(3-Isocyanato-4-methylphenyl)carbamic acid
Systematic Name English
Carbamic acid, N-(3-isocyanato-4-methylphenyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
4650302
Created by admin on Sat Dec 16 18:38:35 GMT 2023 , Edited by admin on Sat Dec 16 18:38:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID20405250
Created by admin on Sat Dec 16 18:38:35 GMT 2023 , Edited by admin on Sat Dec 16 18:38:35 GMT 2023
PRIMARY
FDA UNII
VB7AF7VKE2
Created by admin on Sat Dec 16 18:38:35 GMT 2023 , Edited by admin on Sat Dec 16 18:38:35 GMT 2023
PRIMARY
CAS
26488-57-3
Created by admin on Sat Dec 16 18:38:35 GMT 2023 , Edited by admin on Sat Dec 16 18:38:35 GMT 2023
PRIMARY