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89646-25-3 | Benzoic acid, 3-hydroxy-2-(2-hydroxybenzoyl)-
CAS No: 89646-25-3 Catalog No: AG003VVM MDL No:
Product Description
Catalog Number:
AG003VVM
Chemical Name:
Benzoic acid, 3-hydroxy-2-(2-hydroxybenzoyl)-
CAS Number:
89646-25-3
Molecular Formula:
C14H10O5
Molecular Weight:
258.2262
IUPAC Name:
3-hydroxy-2-(2-hydroxybenzoyl)benzoic acid
InChI:
InChI=1S/C14H10O5/c15-10-6-2-1-4-8(10)13(17)12-9(14(18)19)5-3-7-11(12)16/h1-7,15-16H,(H,18,19)
InChI Key:
APWBXDGFIBYUIC-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C(=O)c1c(O)cccc1C(=O)O
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:
2.6
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