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Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O2
Molecular Weight 162.1852
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3-Dimethylphthalide

SMILES

CC1(C)OC(=O)C2=C1C=CC=C2

InChI

InChIKey=YFBZUWUJSCLVST-UHFFFAOYSA-N
InChI=1S/C10H10O2/c1-10(2)8-6-4-3-5-7(8)9(11)12-10/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H10O2
Molecular Weight 162.1852
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 Sat Dec 16 12:11:24 GMT 2023
Edited
by admin
on Sat Dec 16 12:11:24 GMT 2023
Record UNII
E325Q29EJM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3-Dimethylphthalide
Systematic Name English
3,3-Dimethyl-2-benzofuran-1(3H)-one
Systematic Name English
NSC-5114
Code English
1(3H)-Isobenzofuranone, 3,3-dimethyl-
Systematic Name English
Phthalide, 3,3-dimethyl-
Systematic Name English
3,3-Dimethyl-2-benzofuran-1-one
Systematic Name English
3,3-Dimethyl-1(3H)-isobenzofuranone
Systematic Name English
3,3-Dimethyl-1,3-dihydro-2-benzofuran-1-one
Systematic Name English
Code System Code Type Description
PUBCHEM
74317
Created by admin on Sat Dec 16 12:11:24 GMT 2023 , Edited by admin on Sat Dec 16 12:11:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID40168618
Created by admin on Sat Dec 16 12:11:24 GMT 2023 , Edited by admin on Sat Dec 16 12:11:24 GMT 2023
PRIMARY
CAS
1689-09-4
Created by admin on Sat Dec 16 12:11:24 GMT 2023 , Edited by admin on Sat Dec 16 12:11:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-878-5
Created by admin on Sat Dec 16 12:11:24 GMT 2023 , Edited by admin on Sat Dec 16 12:11:24 GMT 2023
PRIMARY
NSC
5114
Created by admin on Sat Dec 16 12:11:24 GMT 2023 , Edited by admin on Sat Dec 16 12:11:24 GMT 2023
PRIMARY
FDA UNII
E325Q29EJM
Created by admin on Sat Dec 16 12:11:24 GMT 2023 , Edited by admin on Sat Dec 16 12:11:24 GMT 2023
PRIMARY