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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11NO
Molecular Weight 161.2004
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of O-ISOPROPYLPHENYL ISOCYANATE

SMILES

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

InChI

InChIKey=MWBSQVPLYJZPTG-UHFFFAOYSA-N
InChI=1S/C10H11NO/c1-8(2)9-5-3-4-6-10(9)11-7-12/h3-6,8H,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H11NO
Molecular Weight 161.2004
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 19:01:02 GMT 2023
Edited
by admin
on Sat Dec 16 19:01:02 GMT 2023
Record UNII
6EY4ZM4AEZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-ISOPROPYLPHENYL ISOCYANATE
Common Name English
2-ISOPROPYLPHENYL ISOCYANATE
Systematic Name English
BENZENE, 1-ISOCYANATO-2-(1-METHYLETHYL)-
Systematic Name English
1-ISOCYANATO-2-ISOPROPYLBENZENE
Common Name English
1-ISOCYANATO-2-(1-METHYLETHYL)BENZENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30204852
Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023
PRIMARY
PUBCHEM
91797
Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023
PRIMARY
CAS
56309-56-9
Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023
PRIMARY
ECHA (EC/EINECS)
260-105-4
Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023
PRIMARY
FDA UNII
6EY4ZM4AEZ
Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023
PRIMARY