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89366-43-8 | Benzoic acid, 5-[[(1-methylethyl)amino]carbonyl]-2-(octyloxy)-
CAS No: 89366-43-8 Catalog No: AG003X4W MDL No:
Product Description
Catalog Number:
AG003X4W
Chemical Name:
Benzoic acid, 5-[[(1-methylethyl)amino]carbonyl]-2-(octyloxy)-
CAS Number:
89366-43-8
Molecular Formula:
C19H29NO4
Molecular Weight:
335.4379
IUPAC Name:
2-octoxy-5-(propan-2-ylcarbamoyl)benzoic acid
InChI:
InChI=1S/C19H29NO4/c1-4-5-6-7-8-9-12-24-17-11-10-15(13-16(17)19(22)23)18(21)20-14(2)3/h10-11,13-14H,4-9,12H2,1-3H3,(H,20,21)(H,22,23)
InChI Key:
XAKXPEUIWPJMFR-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1C(=O)O)C(=O)NC(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.21g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.444g/mol
Monoisotopic Mass:
335.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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