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80573-04-2 | Balsalazide
CAS No: 80573-04-2 Catalog No: AG0052G1 MDL No:MFCD00868204
Product Description
Catalog Number:
AG0052G1
Chemical Name:
Balsalazide
CAS Number:
80573-04-2
Molecular Formula:
C17H15N3O6
Molecular Weight:
357.3175
MDL Number:
MFCD00868204
IUPAC Name:
5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
InChI:
InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)
InChI Key:
IPOKCKJONYRRHP-UHFFFAOYSA-N
SMILES:
OC(=O)CCNC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O
EC Number:
617-116-8
UNII:
P80AL8J7ZP
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
357.322g/mol
Monoisotopic Mass:
357.096g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
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