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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O4
Molecular Weight 222.2372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methyl-3-phenylglutaric acid

SMILES

CC(CC(O)=O)(CC(O)=O)C1=CC=CC=C1

InChI

InChIKey=LEHVKCUBJITYCL-UHFFFAOYSA-N
InChI=1S/C12H14O4/c1-12(7-10(13)14,8-11(15)16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)(H,15,16)

HIDE SMILES / InChI

Molecular Formula C12H14O4
Molecular Weight 222.2372
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 12:35:32 GMT 2023
Edited
by admin
on Sat Dec 16 12:35:32 GMT 2023
Record UNII
Q4RC4BBG69
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Methyl-3-phenylglutaric acid
Systematic Name English
Pentanedioic acid, 3-methyl-3-phenyl-
Systematic Name English
NSC-51135
Code English
3-Methyl-3-phenylpentanedioic acid
Systematic Name English
Glutaric acid, 3-methyl-3-phenyl-
Systematic Name English
Code System Code Type Description
NSC
51135
Created by admin on Sat Dec 16 12:35:33 GMT 2023 , Edited by admin on Sat Dec 16 12:35:33 GMT 2023
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EPA CompTox
DTXSID50194428
Created by admin on Sat Dec 16 12:35:33 GMT 2023 , Edited by admin on Sat Dec 16 12:35:33 GMT 2023
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ECHA (EC/EINECS)
223-999-7
Created by admin on Sat Dec 16 12:35:33 GMT 2023 , Edited by admin on Sat Dec 16 12:35:33 GMT 2023
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CAS
4160-92-3
Created by admin on Sat Dec 16 12:35:33 GMT 2023 , Edited by admin on Sat Dec 16 12:35:33 GMT 2023
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PUBCHEM
77814
Created by admin on Sat Dec 16 12:35:33 GMT 2023 , Edited by admin on Sat Dec 16 12:35:33 GMT 2023
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FDA UNII
Q4RC4BBG69
Created by admin on Sat Dec 16 12:35:33 GMT 2023 , Edited by admin on Sat Dec 16 12:35:33 GMT 2023
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