Home Carboxys 1,2,3-Benzenetricarboxylic acid, dihydrate

1,2,3-Benzenetricarboxylic acid, dihydrate

CAS No.:
36362-97-7
Catalog Number:
AG00I77O
Molecular Formula:
C9H10O8
Molecular Weight:
246.1709
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Product Description
Catalog Number:
AG00I77O
Chemical Name:
1,2,3-Benzenetricarboxylic acid, dihydrate
CAS Number:
36362-97-7
Molecular Formula:
C9H10O8
Molecular Weight:
246.1709
MDL Number:
MFCD00149097
IUPAC Name:
benzene-1,2,3-tricarboxylic acid;dihydrate
InChI:
InChI=1S/C9H6O6.2H2O/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;;/h1-3H,(H,10,11)(H,12,13)(H,14,15);2*1H2
InChI Key:
HFUPKLOIWLIWTG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(cccc1C(=O)O)C(=O)O.O.O
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.038g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
246.171g/mol
Monoisotopic Mass:
246.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties