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92570-40-6

92570-40-6 | Benzoic acid, 2-[4-(butylmethylamino)-2-hydroxybenzoyl]-

CAS No: 92570-40-6 Catalog No: AG006GN3 MDL No:

Product Description

Catalog Number:
AG006GN3
Chemical Name:
Benzoic acid, 2-[4-(butylmethylamino)-2-hydroxybenzoyl]-
CAS Number:
92570-40-6
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
IUPAC Name:
2-[4-[butyl(methyl)amino]-2-hydroxybenzoyl]benzoic acid
InChI:
InChI=1S/C19H21NO4/c1-3-4-11-20(2)13-9-10-16(17(21)12-13)18(22)14-7-5-6-8-15(14)19(23)24/h5-10,12,21H,3-4,11H2,1-2H3,(H,23,24)
InChI Key:
GZDOEMGBFIMUDL-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)C

Properties

Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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