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88877-65-0 | Octanamide, N-[4-(2-benzoxazolyl)-3-hydroxyphenyl]-
CAS No: 88877-65-0 Catalog No: AG0049Y8 MDL No:
Product Description
Catalog Number:
AG0049Y8
Chemical Name:
Octanamide, N-[4-(2-benzoxazolyl)-3-hydroxyphenyl]-
CAS Number:
88877-65-0
Molecular Formula:
C21H24N2O3
Molecular Weight:
352.4269
IUPAC Name:
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]octanamide
InChI:
InChI=1S/C21H24N2O3/c1-2-3-4-5-6-11-20(25)22-15-12-13-16(18(24)14-15)21-23-17-9-7-8-10-19(17)26-21/h7-10,12-14,24H,2-6,11H2,1H3,(H,22,25)
InChI Key:
SAPQEGNJNSKYHU-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Nc1ccc(c(c1)O)c1nc2c(o1)cccc2
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.434g/mol
Monoisotopic Mass:
352.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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