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54574-82-2

54574-82-2 | 2-(4-(Dibutylamino)-2-hydroxybenzoyl)benzoic acid

CAS No: 54574-82-2 Catalog No: AG003B5T MDL No:MFCD00134670

Product Description

Catalog Number:
AG003B5T
Chemical Name:
2-(4-(Dibutylamino)-2-hydroxybenzoyl)benzoic acid
CAS Number:
54574-82-2
Molecular Formula:
C22H27NO4
Molecular Weight:
369.4541
MDL Number:
MFCD00134670
IUPAC Name:
2-[4-(dibutylamino)-2-hydroxybenzoyl]benzoic acid
InChI:
InChI=1S/C22H27NO4/c1-3-5-13-23(14-6-4-2)16-11-12-19(20(24)15-16)21(25)17-9-7-8-10-18(17)22(26)27/h7-12,15,24H,3-6,13-14H2,1-2H3,(H,26,27)
InChI Key:
QPNFUBAIQZJEPO-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)CCCC
EC Number:
410-410-5
UNII:
V9X9G25434

Properties

Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.194g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
369.461g/mol
Monoisotopic Mass:
369.194g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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