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Details

Stereochemistry ACHIRAL
Molecular Formula CO3.2Al.4Ca.12HO
Molecular Weight 478.372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM ALUMINUM HYDROXYL CARBONATE

SMILES

[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Ca++].[Ca++].[Ca++].[Ca++].[O-]C([O-])=O

InChI

InChIKey=QXGULJKRHIVBFU-UHFFFAOYSA-A
InChI=1S/CH2O3.2Al.4Ca.12H2O/c2-1(3)4;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;;12*1H2/q;2*+3;4*+2;;;;;;;;;;;;/p-14

HIDE SMILES / InChI

Molecular Formula Al
Molecular Weight 26.9815
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CO3
Molecular Weight 60.0089
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
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 Fri Dec 15 20:37:38 GMT 2023
Edited
by admin
on Fri Dec 15 20:37:38 GMT 2023
Record UNII
Q5J03E8N6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM ALUMINUM HYDROXYL CARBONATE
Systematic Name English
TETRACALCIUM DIALUMINIUM HYDROXIDE CARBONATE
Systematic Name English
TETRACALCIUM MONOCARBONATE DODECAHYDROXODIALUMINATE
Common Name English
CALCIUM CARBONATOHYDROXODIALUMINATES
Common Name English
Code System Code Type Description
Food Contact Sustance Notif, (FCN No.)
FCN NO. 1435
Created by admin on Fri Dec 15 20:37:38 GMT 2023 , Edited by admin on Fri Dec 15 20:37:38 GMT 2023
PRIMARY
CAS
65997-16-2
Created by admin on Fri Dec 15 20:37:38 GMT 2023 , Edited by admin on Fri Dec 15 20:37:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
266-045-5
Created by admin on Fri Dec 15 20:37:38 GMT 2023 , Edited by admin on Fri Dec 15 20:37:38 GMT 2023
PRIMARY
PUBCHEM
124220635
Created by admin on Fri Dec 15 20:37:38 GMT 2023 , Edited by admin on Fri Dec 15 20:37:38 GMT 2023
PRIMARY
FDA UNII
Q5J03E8N6W
Created by admin on Fri Dec 15 20:37:38 GMT 2023 , Edited by admin on Fri Dec 15 20:37:38 GMT 2023
PRIMARY
CAS
1118711-36-6
Created by admin on Fri Dec 15 20:37:38 GMT 2023 , Edited by admin on Fri Dec 15 20:37:38 GMT 2023
ALTERNATIVE