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113665-35-3 | 1,2,4-Benzenetricarboxylic acid, 6-hydroxy-
CAS No: 113665-35-3 Catalog No: AG00099R MDL No:
Product Description
Catalog Number:
AG00099R
Chemical Name:
1,2,4-Benzenetricarboxylic acid, 6-hydroxy-
CAS Number:
113665-35-3
Molecular Formula:
C9H6O7
Molecular Weight:
226.1397
IUPAC Name:
6-hydroxybenzene-1,2,4-tricarboxylic acid
InChI:
InChI=1S/C9H6O7/c10-5-2-3(7(11)12)1-4(8(13)14)6(5)9(15)16/h1-2,10H,(H,11,12)(H,13,14)(H,15,16)
InChI Key:
ZMPSHRMZKUPMOM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1C(=O)O)O)C(=O)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.011g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
226.14g/mol
Monoisotopic Mass:
226.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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