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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

Approval Year

PubMed

PubMed

TitleDatePubMed
Perturbing the hydrophobic pocket of mandelate racemase to probe phenyl motion during catalysis.
2005 Jun 28
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