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6274-40-4 | 5-Hydroxy-1,2,3-benzenetricarboxylic acid
CAS No: 6274-40-4 Catalog No: AG0036ZP MDL No:
Product Description
Catalog Number:
AG0036ZP
Chemical Name:
5-Hydroxy-1,2,3-benzenetricarboxylic acid
CAS Number:
6274-40-4
Molecular Formula:
C9H6O7
Molecular Weight:
226.1397
IUPAC Name:
5-hydroxybenzene-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C9H6O7/c10-3-1-4(7(11)12)6(9(15)16)5(2-3)8(13)14/h1-2,10H,(H,11,12)(H,13,14)(H,15,16)
InChI Key:
ZNXDRABWDMXMFJ-UHFFFAOYSA-N
SMILES:
Oc1cc(C(=O)O)c(c(c1)C(=O)O)C(=O)O
Properties
Complexity:
300
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:
0.1
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