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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO2
Molecular Weight 203.2371
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBANILIC ACID, 1,1-DIMETHYL-2-PROPYNYL ESTER

SMILES

CC(C)(OC(=O)NC1=CC=CC=C1)C#C

InChI

InChIKey=ULBSSUIJJSCNPA-UHFFFAOYSA-N
InChI=1S/C12H13NO2/c1-4-12(2,3)15-11(14)13-10-8-6-5-7-9-10/h1,5-9H,2-3H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C12H13NO2
Molecular Weight 203.2371
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:37:31 GMT 2025
Edited
by admin
on Tue Apr 01 20:37:31 GMT 2025
Record UNII
VUP44IJ5UM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-134077
Preferred Name English
CARBANILIC ACID, 1,1-DIMETHYL-2-PROPYNYL ESTER
Common Name English
NSC-5621
Code English
3-BUTYN-2-OL, 2-METHYL-, PHENYLCARBAMATE
Systematic Name English
3-BUTYN-2-OL, 2-METHYL-, CARBANILATE
Systematic Name English
3-BUTYN-2-OL, 2-METHYL-, 2-(N-PHENYLCARBAMATE)
Systematic Name English
Code System Code Type Description
NSC
5621
Created by admin on Tue Apr 01 20:37:31 GMT 2025 , Edited by admin on Tue Apr 01 20:37:31 GMT 2025
PRIMARY
PUBCHEM
22717
Created by admin on Tue Apr 01 20:37:31 GMT 2025 , Edited by admin on Tue Apr 01 20:37:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID90212054
Created by admin on Tue Apr 01 20:37:31 GMT 2025 , Edited by admin on Tue Apr 01 20:37:31 GMT 2025
PRIMARY
FDA UNII
VUP44IJ5UM
Created by admin on Tue Apr 01 20:37:31 GMT 2025 , Edited by admin on Tue Apr 01 20:37:31 GMT 2025
PRIMARY
NSC
134077
Created by admin on Tue Apr 01 20:37:31 GMT 2025 , Edited by admin on Tue Apr 01 20:37:31 GMT 2025
PRIMARY
CAS
6289-19-6
Created by admin on Tue Apr 01 20:37:31 GMT 2025 , Edited by admin on Tue Apr 01 20:37:31 GMT 2025
PRIMARY