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144280-15-9 | 2-Propenamide, N-[[2,3-dimethyl-4-(2-oxiranylmethoxy)phenyl]methyl]-
CAS No: 144280-15-9 Catalog No: AG001J8D MDL No:
Product Description
Catalog Number:
AG001J8D
Chemical Name:
2-Propenamide, N-[[2,3-dimethyl-4-(2-oxiranylmethoxy)phenyl]methyl]-
CAS Number:
144280-15-9
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
N-[[2,3-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide
InChI:
InChI=1S/C15H19NO3/c1-4-15(17)16-7-12-5-6-14(11(3)10(12)2)19-9-13-8-18-13/h4-6,13H,1,7-9H2,2-3H3,(H,16,17)
InChI Key:
CFXZQHZTLULYOO-UHFFFAOYSA-N
SMILES:
C=CC(=O)NCc1ccc(c(c1C)C)OCC1CO1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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