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23435-80-5 | Benzenesulfonic acid, 3,3'-[1,3-propanediylbis(nitrilomethylidyne)]bis[4-hydroxy- (9CI)
CAS No: 23435-80-5 Catalog No: AG002N7M MDL No:
Product Description
Catalog Number:
AG002N7M
Chemical Name:
Benzenesulfonic acid, 3,3'-[1,3-propanediylbis(nitrilomethylidyne)]bis[4-hydroxy- (9CI)
CAS Number:
23435-80-5
IUPAC Name:
1,1-diamino-4-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidene]but-3-ene-1,3-disulfonic acid
InChI:
InChI=1S/C17H18N2O8S2/c18-17(19,29(25,26)27)13(9-11-5-1-3-7-14(11)20)16(28(22,23)24)10-12-6-2-4-8-15(12)21/h1-10,20-21H,18-19H2,(H,22,23,24)(H,25,26,27)
InChI Key:
AELOHIKXMKTBKB-UHFFFAOYSA-N
Properties
Complexity:
853
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.05g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
442.457g/mol
Monoisotopic Mass:
442.05g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
218A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
-4.8
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