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Details

Stereochemistry MIXED
Molecular Formula C10H8O4
Molecular Weight 192.1681
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-OXO-4-PHENYL-3-OXETANECARBOXYLIC ACID

SMILES

OC(=O)C1C(OC1=O)C2=CC=CC=C2

InChI

InChIKey=WTXYKKPMRNZUNZ-UHFFFAOYSA-N
InChI=1S/C10H8O4/c11-9(12)7-8(14-10(7)13)6-4-2-1-3-5-6/h1-5,7-8H,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H8O4
Molecular Weight 192.1681
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:29:13 GMT 2025
Edited
by admin
on Tue Apr 01 16:29:13 GMT 2025
Record UNII
960EQF973H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-26323
Preferred Name English
2-OXO-4-PHENYL-3-OXETANECARBOXYLIC ACID
Systematic Name English
MALONIC ACID, .ALPHA.-HYDROXYBENZYL-, LACTONE
Common Name English
MALONIC ACID, (.ALPHA.-HYDROXYBENZYL)-, .BETA.-LACTONE
Common Name English
3-OXETANECARBOXYLIC ACID, 2-OXO-4-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30282519
Created by admin on Tue Apr 01 16:29:13 GMT 2025 , Edited by admin on Tue Apr 01 16:29:13 GMT 2025
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CAS
63041-20-3
Created by admin on Tue Apr 01 16:29:13 GMT 2025 , Edited by admin on Tue Apr 01 16:29:13 GMT 2025
PRIMARY
NSC
26323
Created by admin on Tue Apr 01 16:29:13 GMT 2025 , Edited by admin on Tue Apr 01 16:29:13 GMT 2025
PRIMARY
PUBCHEM
230909
Created by admin on Tue Apr 01 16:29:13 GMT 2025 , Edited by admin on Tue Apr 01 16:29:13 GMT 2025
PRIMARY
FDA UNII
960EQF973H
Created by admin on Tue Apr 01 16:29:13 GMT 2025 , Edited by admin on Tue Apr 01 16:29:13 GMT 2025
PRIMARY