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2513-33-9 | Benzoic acid, 2-(2,4-dihydroxybenzoyl)-
CAS No: 2513-33-9 Catalog No: AG002QKU MDL No:
Product Description
Catalog Number:
AG002QKU
Chemical Name:
Benzoic acid, 2-(2,4-dihydroxybenzoyl)-
CAS Number:
2513-33-9
Molecular Formula:
C14H10O5
Molecular Weight:
258.2262
IUPAC Name:
2-(2,4-dihydroxybenzoyl)benzoic acid
InChI:
InChI=1S/C14H10O5/c15-8-5-6-11(12(16)7-8)13(17)9-3-1-2-4-10(9)14(18)19/h1-7,15-16H,(H,18,19)
InChI Key:
KIEFFPFIBREPIX-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O
UNII:
63XZ9244E2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.229g/mol
Monoisotopic Mass:
258.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Monitoring of the generation of non-mutagenic benzoic acid compounds during the manufacture of erythrosine. | Food additives and contaminants 20041201 |
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