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Details

Stereochemistry EPIMERIC
Molecular Formula C13H16O4
Molecular Weight 236.2637
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-((1S)-2-HYDROXY-1-METHYL-2-OXO-ETHYL)PHENYL)-2-METHYL-PROPANOIC ACID

SMILES

CC(CC1=CC=C(C=C1)[C@H](C)C(O)=O)C(O)=O

InChI

InChIKey=DIVLBIVDYADZPL-GKAPJAKFSA-N
InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/t8?,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H16O4
Molecular Weight 236.2637
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
J78Y8XE2HY
Record Status Validated (UNII)
Record Version