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88850-49-1 | Benzoic acid, 4-(acetylamino)-2-hydroxy-5-(phenylazo)-
CAS No: 88850-49-1 Catalog No: AG004BKP MDL No:
Product Description
Catalog Number:
AG004BKP
Chemical Name:
Benzoic acid, 4-(acetylamino)-2-hydroxy-5-(phenylazo)-
CAS Number:
88850-49-1
Molecular Formula:
C15H13N3O4
Molecular Weight:
299.2814
IUPAC Name:
4-acetamido-2-hydroxy-5-phenyldiazenylbenzoic acid
InChI:
InChI=1S/C15H13N3O4/c1-9(19)16-12-8-14(20)11(15(21)22)7-13(12)18-17-10-5-3-2-4-6-10/h2-8,20H,1H3,(H,16,19)(H,21,22)
InChI Key:
BRWCXCCENYULIT-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(O)c(cc1N=Nc1ccccc1)C(=O)O
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.286g/mol
Monoisotopic Mass:
299.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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