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Details

Stereochemistry RACEMIC
Molecular Formula 2C9H10O3.H2O
Molecular Weight 350.3631
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATROLACTIC ACID HEMIHYDRATE

SMILES

O.CC(O)(C(O)=O)C1=CC=CC=C1.CC(O)(C(O)=O)C2=CC=CC=C2

InChI

InChIKey=BCZRQUYXNLVFOZ-UHFFFAOYSA-N
InChI=1S/2C9H10O3.H2O/c2*1-9(12,8(10)11)7-5-3-2-4-6-7;/h2*2-6,12H,1H3,(H,10,11);1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H10O3
Molecular Weight 166.1739
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Perturbing the hydrophobic pocket of mandelate racemase to probe phenyl motion during catalysis.
2005 Jun 28
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:09:26 GMT 2023
Edited
by admin
on Sat Dec 16 10:09:26 GMT 2023
Record UNII
H09OR4Q469
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATROLACTIC ACID HEMIHYDRATE
Common Name English
DL-ATROLACTIC ACID HEMIHYDRATE
MI  
Common Name English
DL-ATROLACTIC ACID HEMIHYDRATE [MI]
Common Name English
ATROLACTIC ACID HEMIHYDRATE, DL-
Common Name English
ATROLACTIC ACID HEMIHYDRATE, (±)-
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-METHYL-, HYDRATE (2:1)
Common Name English
Code System Code Type Description
FDA UNII
H09OR4Q469
Created by admin on Sat Dec 16 10:09:26 GMT 2023 , Edited by admin on Sat Dec 16 10:09:26 GMT 2023
PRIMARY
CAS
75378-83-5
Created by admin on Sat Dec 16 10:09:26 GMT 2023 , Edited by admin on Sat Dec 16 10:09:26 GMT 2023
PRIMARY
PUBCHEM
16211206
Created by admin on Sat Dec 16 10:09:26 GMT 2023 , Edited by admin on Sat Dec 16 10:09:26 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE