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3786-46-7 | 3,6-Dihydroxyphthalic acid
CAS No: 3786-46-7 Catalog No: AG0038RH MDL No:MFCD00096284
Product Description
Catalog Number:
AG0038RH
Chemical Name:
3,6-Dihydroxyphthalic acid
CAS Number:
3786-46-7
Molecular Formula:
C8H6O6
Molecular Weight:
198.1296
MDL Number:
MFCD00096284
IUPAC Name:
3,6-dihydroxyphthalic acid
InChI:
InChI=1S/C8H6O6/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12/h1-2,9-10H,(H,11,12)(H,13,14)
InChI Key:
UDKMUSGWGWZJBZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(O)ccc(c1C(=O)O)O
NSC Number:
382138
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.016g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
198.13g/mol
Monoisotopic Mass:
198.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| An ultrasensitive and highly selective determination method for quinones by high-performance liquid chromatography with photochemically initiated luminol chemiluminescence. | Journal of chromatography. A 20090501 |
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