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Details

Stereochemistry RACEMIC
Molecular Formula C7H14O4
Molecular Weight 162.1837
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRACHELANTHIC ACID, (±)-

SMILES

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

InChI

InChIKey=KXEISHUBUXWXGY-CAHLUQPWSA-N
InChI=1S/C7H14O4/c1-4(2)7(11,5(3)8)6(9)10/h4-5,8,11H,1-3H3,(H,9,10)/t5-,7+/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H14O4
Molecular Weight 162.1837
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:34:26 GMT 2023
Edited
by admin
on Sat Dec 16 12:34:26 GMT 2023
Record UNII
X3BJ64QR9U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRACHELANTHIC ACID, (±)-
Common Name English
NSC-250425
Code English
(±)-TRACHELANTHIC ACID
Common Name English
BUTANOIC ACID, 2-HYDROXY-2-((1R)-1-HYDROXYETHYL)-3-METHYL-, (2S)-REL-
Systematic Name English
REL-(2S)-2-HYDROXY-2-((1R)-1-HYDROXYETHYL)-3-METHYLBUTANOIC ACID
Common Name English
Code System Code Type Description
FDA UNII
X3BJ64QR9U
Created by admin on Sat Dec 16 12:34:26 GMT 2023 , Edited by admin on Sat Dec 16 12:34:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID60312131
Created by admin on Sat Dec 16 12:34:26 GMT 2023 , Edited by admin on Sat Dec 16 12:34:26 GMT 2023
PRIMARY
NSC
250425
Created by admin on Sat Dec 16 12:34:26 GMT 2023 , Edited by admin on Sat Dec 16 12:34:26 GMT 2023
PRIMARY
PUBCHEM
10866641
Created by admin on Sat Dec 16 12:34:26 GMT 2023 , Edited by admin on Sat Dec 16 12:34:26 GMT 2023
PRIMARY
CAS
23944-47-0
Created by admin on Sat Dec 16 12:34:26 GMT 2023 , Edited by admin on Sat Dec 16 12:34:26 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE