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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8O3.H2O
Molecular Weight 194.184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYMECROMONE HYDRATE

SMILES

O.CC1=CC(=O)OC2=C1C=CC(O)=C2

InChI

InChIKey=HRFJWEHVFMYQSS-UHFFFAOYSA-N
InChI=1S/C10H8O3.H2O/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;/h2-5,11H,1H3;1H2

HIDE SMILES / InChI

Molecular Formula C10H8O3
Molecular Weight 176.1687
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:53:55 UTC 2023
Edited
by admin
on Sat Dec 16 07:53:55 UTC 2023
Record UNII
ORG176G874
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYMECROMONE HYDRATE
Common Name English
MENDIAXON MONOHYDRATE
Common Name English
2H-1-BENZOPYRAN-2-ONE, 7-HYDROXY-4-METHYL-, HYDRATE (1:1)
Systematic Name English
4-METHYLUMBELLIFERONE HYDRATE
Common Name English
Code System Code Type Description
CAS
103764-33-6
Created by admin on Sat Dec 16 07:53:55 UTC 2023 , Edited by admin on Sat Dec 16 07:53:55 UTC 2023
PRIMARY
FDA UNII
ORG176G874
Created by admin on Sat Dec 16 07:53:55 UTC 2023 , Edited by admin on Sat Dec 16 07:53:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID1046976
Created by admin on Sat Dec 16 07:53:55 UTC 2023 , Edited by admin on Sat Dec 16 07:53:55 UTC 2023
PRIMARY
PUBCHEM
60196415
Created by admin on Sat Dec 16 07:53:55 UTC 2023 , Edited by admin on Sat Dec 16 07:53:55 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE