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Details

Stereochemistry RACEMIC
Molecular Formula C10H12O4
Molecular Weight 196.1999
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-METHYL-3,4-DIHYDROXYPHENYLPROPIONIC ACID

SMILES

CC(CC1=CC(O)=C(O)C=C1)C(O)=O

InChI

InChIKey=GIIOASILGOFVPI-UHFFFAOYSA-N
InChI=1S/C10H12O4/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-3,5-6,11-12H,4H2,1H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C10H12O4
Molecular Weight 196.1999
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 14:55:49 UTC 2023
Edited
by admin
on Thu Jul 06 14:55:49 UTC 2023
Record UNII
UDN2ACH9OW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-METHYL-3,4-DIHYDROXYPHENYLPROPIONIC ACID
Systematic Name English
3-(3,4-DIHYDROXYPHENYL)-2-METHYLPROPANOIC ACID
Systematic Name English
BENZENEPROPANOIC ACID, 3,4-DIHYDROXY-.ALPHA.-METHYL-
Systematic Name English
.ALPHA.-METHYL-3,4-DIHYDROXYPHENYLPROPIONIC ACID, (±)-
Systematic Name English
Code System Code Type Description
CAS
53832-94-3
Created by admin on Thu Jul 06 14:55:50 UTC 2023 , Edited by admin on Thu Jul 06 14:55:50 UTC 2023
PRIMARY
PUBCHEM
21563790
Created by admin on Thu Jul 06 14:55:50 UTC 2023 , Edited by admin on Thu Jul 06 14:55:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID00615895
Created by admin on Thu Jul 06 14:55:50 UTC 2023 , Edited by admin on Thu Jul 06 14:55:50 UTC 2023
PRIMARY
FDA UNII
UDN2ACH9OW
Created by admin on Thu Jul 06 14:55:50 UTC 2023 , Edited by admin on Thu Jul 06 14:55:50 UTC 2023
PRIMARY
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