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Details

Stereochemistry RACEMIC
Molecular Formula C8H12O4
Molecular Weight 172.1785
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-CYCLOHEXANEDICARBOXYLIC ACID, TRANS-

SMILES

OC(=O)[C@@H]1CCC[C@H](C1)C(O)=O

InChI

InChIKey=XBZSBBLNHFMTEB-PHDIDXHHSA-N
InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H12O4
Molecular Weight 172.1785
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 08:14:00 GMT 2023
Edited
by admin
on Sat Dec 16 08:14:00 GMT 2023
Record UNII
OLM8U7S68A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-CYCLOHEXANEDICARBOXYLIC ACID, TRANS-
Common Name English
1,3-CYCLOHEXANEDICARBOXYLIC ACID, (1R,3R)-REL-
Systematic Name English
REL-(1R,3R)-1,3-CYCLOHEXANEDICARBOXYLIC ACID
Systematic Name English
TRANS-(±)-1,3-CYCLOHEXANEDICARBOXYLIC ACID
Systematic Name English
TRANS-CYCLOHEXANE-1,3-DICARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
OLM8U7S68A
Created by admin on Sat Dec 16 08:14:00 GMT 2023 , Edited by admin on Sat Dec 16 08:14:00 GMT 2023
PRIMARY
CAS
2305-30-8
Created by admin on Sat Dec 16 08:14:00 GMT 2023 , Edited by admin on Sat Dec 16 08:14:00 GMT 2023
PRIMARY
PUBCHEM
12890857
Created by admin on Sat Dec 16 08:14:00 GMT 2023 , Edited by admin on Sat Dec 16 08:14:00 GMT 2023
PRIMARY