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139650-00-3 | 2-Propenamide, N-[3-(2-oxiranylmethoxy)phenyl]-
CAS No: 139650-00-3 Catalog No: AG001BGM MDL No:
Product Description
Catalog Number:
AG001BGM
Chemical Name:
2-Propenamide, N-[3-(2-oxiranylmethoxy)phenyl]-
CAS Number:
139650-00-3
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
N-[3-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide
InChI:
InChI=1S/C12H13NO3/c1-2-12(14)13-9-4-3-5-10(6-9)15-7-11-8-16-11/h2-6,11H,1,7-8H2,(H,13,14)
InChI Key:
IINCSQCDGHHSOT-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cccc(c1)OCC1OC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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