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130633-71-5 | Serine, N-[[4-[[4-(dimethylamino)phenyl]azo]phenyl]sulfonyl]- (9CI)
CAS No: 130633-71-5 Catalog No: AG000UPO MDL No:
Product Description
Catalog Number:
AG000UPO
Chemical Name:
Serine, N-[[4-[[4-(dimethylamino)phenyl]azo]phenyl]sulfonyl]- (9CI)
CAS Number:
130633-71-5
Molecular Formula:
C17H20N4O5S
Molecular Weight:
392.4295
IUPAC Name:
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C17H20N4O5S/c1-21(2)14-7-3-12(4-8-14)18-19-13-5-9-15(10-6-13)27(25,26)20-16(11-22)17(23)24/h3-10,16,20,22H,11H2,1-2H3,(H,23,24)
InChI Key:
OQGDDIDTALQAET-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.115g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
392.43g/mol
Monoisotopic Mass:
392.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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