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528-44-9 | Benzene-1,2,4-tricarboxylic acid
CAS No: 528-44-9 Catalog No: AG003DB0 MDL No:MFCD00002470
Product Description
Catalog Number:
AG003DB0
Chemical Name:
Benzene-1,2,4-tricarboxylic acid
CAS Number:
528-44-9
Molecular Formula:
C9H6O6
Molecular Weight:
210.1403
MDL Number:
MFCD00002470
IUPAC Name:
benzene-1,2,4-tricarboxylic acid
InChI:
InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChI Key:
ARCGXLSVLAOJQL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C(=O)O)C(=O)O
EC Number:
208-432-3
UNII:
7NVY29MQ5F
NSC Number:
72986
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.016g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.141g/mol
Monoisotopic Mass:
210.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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