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89366-46-1 | Benzoic acid, 5-[(octylamino)carbonyl]-2-propoxy-
CAS No: 89366-46-1 Catalog No: AG003YWD MDL No:
Product Description
Catalog Number:
AG003YWD
Chemical Name:
Benzoic acid, 5-[(octylamino)carbonyl]-2-propoxy-
CAS Number:
89366-46-1
Molecular Formula:
C19H29NO4
Molecular Weight:
335.4379
IUPAC Name:
5-(octylcarbamoyl)-2-propoxybenzoic acid
InChI:
InChI=1S/C19H29NO4/c1-3-5-6-7-8-9-12-20-18(21)15-10-11-17(24-13-4-2)16(14-15)19(22)23/h10-11,14H,3-9,12-13H2,1-2H3,(H,20,21)(H,22,23)
InChI Key:
IECPAHGMRACMSO-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)c1ccc(c(c1)C(=O)O)OCCC
Properties
Complexity:
372
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:
12
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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