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141720-12-9 | 2,1-Benzisoxazole-4-carboxamide, N-dodecyl-1,3-dihydro-3-oxo-
CAS No: 141720-12-9 Catalog No: AG001GXW MDL No:
Product Description
Catalog Number:
AG001GXW
Chemical Name:
2,1-Benzisoxazole-4-carboxamide, N-dodecyl-1,3-dihydro-3-oxo-
CAS Number:
141720-12-9
Molecular Formula:
C20H30N2O3
Molecular Weight:
346.4638
IUPAC Name:
N-dodecyl-3-oxo-1H-2,1-benzoxazole-4-carboxamide
InChI:
InChI=1S/C20H30N2O3/c1-2-3-4-5-6-7-8-9-10-11-15-21-19(23)16-13-12-14-17-18(16)20(24)25-22-17/h12-14,22H,2-11,15H2,1H3,(H,21,23)
InChI Key:
VRJMKYOXSFPORA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)c1cccc2c1c(=O)o[nH]2
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.226g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.471g/mol
Monoisotopic Mass:
346.226g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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