Home Aminos Benzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-

Benzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-

CAS No.:
125697-92-9
Catalog Number:
AG000OIB
Molecular Formula:
C21H19NO6
Molecular Weight:
381.3787
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Product Description
Catalog Number:
AG000OIB
Chemical Name:
Benzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-
CAS Number:
125697-92-9
Molecular Formula:
C21H19NO6
Molecular Weight:
381.3787
IUPAC Name:
5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
InChI:
InChI=1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)
InChI Key:
ULTTYPMRMMDONC-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)CN(c1ccc(c(c1)C(=O)O)O)Cc1ccccc1O)O
UNII:
3Y0G32G2RV
NSC Number:
678027
Properties
Complexity:
517  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.121g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
381.384g/mol
Monoisotopic Mass:
381.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
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