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126687-49-8 | Benzoic acid, 5-(dimethylamino)-2-(4-hydroxybenzoyl)-
CAS No: 126687-49-8 Catalog No: AG000T3T MDL No:
Product Description
Catalog Number:
AG000T3T
Chemical Name:
Benzoic acid, 5-(dimethylamino)-2-(4-hydroxybenzoyl)-
CAS Number:
126687-49-8
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
IUPAC Name:
5-(dimethylamino)-2-(4-hydroxybenzoyl)benzoic acid
InChI:
InChI=1S/C16H15NO4/c1-17(2)11-5-8-13(14(9-11)16(20)21)15(19)10-3-6-12(18)7-4-10/h3-9,18H,1-2H3,(H,20,21)
InChI Key:
FQAFIROOHZEIOU-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=O)c1ccc(cc1C(=O)O)N(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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