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6059-16-1

Basic Information
CAS No.: 6059-16-1
Name: 4-AMINOSALICYLIC ACID CALCIUM SALT
Molecular Structure:
Molecular Structure of 6059-16-1 (4-AMINOSALICYLIC ACID CALCIUM SALT)
Formula: C14H14CaN2O6
Molecular Weight: 344.33
Synonyms: Benzoicacid, 4-amino-2-hydroxy-, calcium salt (2:1), trihydrate (9CI);Salicylic acid,4-amino-, calcium salt (2:1), trihydrate (8CI);Calcium p-aminosalicylatetrihydrate;Calcium(II) p-aminosalicylate trihydrate;
EINECS: 205-095-4
PSA: 172.76000
LogP: -0.16180
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Specification

The CAS register number of 4-Amino-2-hydroxybenzoic acid - calcium (2:1) is 6059-16-1. It also can be called as Benzoic acid, 4-amino-2-hydroxy-, calcium salt (2:1) and the systematic name about this chemical is 4-amino-2-hydroxy-benzoic acid; $l2-calcane. The molecular formula about this chemical is C14H14CaN2O6 and the molecular weight is 344.33.

Physical properties about 4-Amino-2-hydroxybenzoic acid - calcium (2:1) are: (1)#H bond acceptors: 8; (2)#H bond donors: 8; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 167.1Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [CaH2].O=C(O)c1ccc(N)cc1O.OC(=O)c1ccc(N)cc1O
(2)InChI: InChI=1/2C7H7NO3.Ca.2H/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;/h2*1-3,9H,8H2,(H,10,11);;;/r2C7H7NO3.CaH2/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);1H2
(3)InChIKey: GANWJHPSCWUWDY-DXUXGEPSAQ
(4)Std. InChI: InChI=1S/2C7H7NO3.Ca.2H/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;/h2*1-3,9H,8H2,(H,10,11);;;
(5)Std. InChIKey: GANWJHPSCWUWDY-UHFFFAOYSA-N