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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12O3
Molecular Weight 168.1898
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of AVELLANEOL

SMILES

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

InChI

InChIKey=VDSLRUXHXCOXFF-LGVBSRDVSA-N
InChI=1S/C9H12O3/c1-3-4-5-8(6-10)9(12)7(2)11/h3-6,9,12H,1-2H3/b4-3+,8-5-/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H12O3
Molecular Weight 168.1898
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:47:48 GMT 2023
Edited
by admin
on Fri Dec 15 19:47:48 GMT 2023
Record UNII
JX3K5WP5PN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVELLANEOL
Common Name English
NSC-314639
Code English
(2E,4E)-2-[(1R)-1-Hydroxy-2-oxopropyl]-2,4-hexadienal
Systematic Name English
Code System Code Type Description
CAS
69962-81-8
Created by admin on Fri Dec 15 19:47:48 GMT 2023 , Edited by admin on Fri Dec 15 19:47:48 GMT 2023
PRIMARY
PUBCHEM
5384220
Created by admin on Fri Dec 15 19:47:48 GMT 2023 , Edited by admin on Fri Dec 15 19:47:48 GMT 2023
PRIMARY
FDA UNII
JX3K5WP5PN
Created by admin on Fri Dec 15 19:47:48 GMT 2023 , Edited by admin on Fri Dec 15 19:47:48 GMT 2023
PRIMARY
NSC
314639
Created by admin on Fri Dec 15 19:47:48 GMT 2023 , Edited by admin on Fri Dec 15 19:47:48 GMT 2023
PRIMARY