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89366-48-3 | Benzoic acid, 5-[(octylamino)carbonyl]-2-(pentyloxy)-
CAS No: 89366-48-3 Catalog No: AG003XL5 MDL No:
Product Description
Catalog Number:
AG003XL5
Chemical Name:
Benzoic acid, 5-[(octylamino)carbonyl]-2-(pentyloxy)-
CAS Number:
89366-48-3
Molecular Formula:
C21H33NO4
Molecular Weight:
363.4910
IUPAC Name:
5-(octylcarbamoyl)-2-pentoxybenzoic acid
InChI:
InChI=1S/C21H33NO4/c1-3-5-7-8-9-10-14-22-20(23)17-12-13-19(18(16-17)21(24)25)26-15-11-6-4-2/h12-13,16H,3-11,14-15H2,1-2H3,(H,22,23)(H,24,25)
InChI Key:
BULYPFJVLRHXEH-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)c1ccc(c(c1)C(=O)O)OCCCCC
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.241g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.498g/mol
Monoisotopic Mass:
363.241g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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