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138845-22-4 | Benzoic acid, 2-[4-[ethyl(tetrahydro-2-furanyl)amino]-2-hydroxybenzoyl]-
CAS No: 138845-22-4 Catalog No: AG0019OE MDL No:
Product Description
Catalog Number:
AG0019OE
Chemical Name:
Benzoic acid, 2-[4-[ethyl(tetrahydro-2-furanyl)amino]-2-hydroxybenzoyl]-
CAS Number:
138845-22-4
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
IUPAC Name:
2-[4-[ethyl(oxolan-2-yl)amino]-2-hydroxybenzoyl]benzoic acid
InChI:
InChI=1S/C20H21NO5/c1-2-21(18-8-5-11-26-18)13-9-10-16(17(22)12-13)19(23)14-6-3-4-7-15(14)20(24)25/h3-4,6-7,9-10,12,18,22H,2,5,8,11H2,1H3,(H,24,25)
InChI Key:
HSGKGSIULFWFSG-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)C1CCCO1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.39g/mol
Monoisotopic Mass:
355.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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