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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O2
Molecular Weight 148.1586
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Isochromanone

SMILES

O=C1CC2=C(CO1)C=CC=C2

InChI

InChIKey=ILHLUZUMRJQEAH-UHFFFAOYSA-N
InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2

HIDE SMILES / InChI

Molecular Formula C9H8O2
Molecular Weight 148.1586
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 12:38:13 GMT 2023
Edited
by admin
on Sat Dec 16 12:38:13 GMT 2023
Record UNII
4J87XDF6HE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Isochromanone
Systematic Name English
2-Hydroxymethylphenylacetic acid lactone
Systematic Name English
NSC-160530
Code English
1,4-Dihydroisochromen-3-one
Systematic Name English
1,4-Dihydro-3H-2-benzopyran-3-one
Systematic Name English
3H-2-Benzopyran-3-one, 1,4-dihydro-
Systematic Name English
1H-2-Benzopyran-3(4H)-one
Systematic Name English
3,4-Dihydro-1H-2-benzopyran-3-one
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
224-493-9
Created by admin on Sat Dec 16 12:38:13 GMT 2023 , Edited by admin on Sat Dec 16 12:38:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID00195960
Created by admin on Sat Dec 16 12:38:13 GMT 2023 , Edited by admin on Sat Dec 16 12:38:13 GMT 2023
PRIMARY
NSC
160530
Created by admin on Sat Dec 16 12:38:13 GMT 2023 , Edited by admin on Sat Dec 16 12:38:13 GMT 2023
PRIMARY
PUBCHEM
78092
Created by admin on Sat Dec 16 12:38:13 GMT 2023 , Edited by admin on Sat Dec 16 12:38:13 GMT 2023
PRIMARY
CAS
4385-35-7
Created by admin on Sat Dec 16 12:38:13 GMT 2023 , Edited by admin on Sat Dec 16 12:38:13 GMT 2023
PRIMARY
FDA UNII
4J87XDF6HE
Created by admin on Sat Dec 16 12:38:13 GMT 2023 , Edited by admin on Sat Dec 16 12:38:13 GMT 2023
PRIMARY