Home Aminos Benzoic acid, 5-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]-

Benzoic acid, 5-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]-

CAS No.:
166442-36-0
Catalog Number:
AG001WR3
Molecular Formula:
C18H18N2O5
Molecular Weight:
342.3459
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Product Description
Catalog Number:
AG001WR3
Chemical Name:
Benzoic acid, 5-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]-
CAS Number:
166442-36-0
Molecular Formula:
C18H18N2O5
Molecular Weight:
342.3459
MDL Number:
MFCD01863320
IUPAC Name:
5-acetamido-2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
InChI:
InChI=1S/C18H18N2O5/c1-10(21)19-11-4-6-13(15(8-11)18(24)25)17(23)14-7-5-12(20(2)3)9-16(14)22/h4-9,22H,1-3H3,(H,19,21)(H,24,25)
InChI Key:
RLVHXZUZNQEOCM-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)C(=O)O)C(=O)c1ccc(cc1O)N(C)C
Properties
Complexity:
522  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.122g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
342.351g/mol
Monoisotopic Mass:
342.122g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties