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162853-41-0 | Octanoic acid, 8-oxo-8-(phenylamino)-, methyl ester
CAS No: 162853-41-0 Catalog No: AG001TGW MDL No:
Product Description
Catalog Number:
AG001TGW
Chemical Name:
Octanoic acid, 8-oxo-8-(phenylamino)-, methyl ester
CAS Number:
162853-41-0
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
IUPAC Name:
methyl 8-anilino-8-oxooctanoate
InChI:
InChI=1S/C15H21NO3/c1-19-15(18)12-8-3-2-7-11-14(17)16-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,16,17)
InChI Key:
UKIMVQKYXFBPCC-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCC(=O)Nc1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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