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119306-51-3 | Benzoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoyl]amino]-
CAS No: 119306-51-3 Catalog No: AG001B2R MDL No:
Product Description
Catalog Number:
AG001B2R
Chemical Name:
Benzoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoyl]amino]-
CAS Number:
119306-51-3
Molecular Formula:
C22H27NO4
Molecular Weight:
369.4541
IUPAC Name:
4-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]benzoic acid
InChI:
InChI=1S/C22H27NO4/c1-21(2,3)16-11-14(12-17(18(16)24)22(4,5)6)19(25)23-15-9-7-13(8-10-15)20(26)27/h7-12,24H,1-6H3,(H,23,25)(H,26,27)
InChI Key:
SOUMNAXAAYKDPQ-UHFFFAOYSA-N
SMILES:
O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
369.461g/mol
Monoisotopic Mass:
369.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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