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824933-14-4 | 2-Oxazolidinone, 5-(aminomethyl)-3-(1-oxo-3-phenyl-2-propenyl)-
CAS No: 824933-14-4 Catalog No: AG0059JH MDL No:
Product Description
Catalog Number:
AG0059JH
Chemical Name:
2-Oxazolidinone, 5-(aminomethyl)-3-(1-oxo-3-phenyl-2-propenyl)-
CAS Number:
824933-14-4
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
5-(aminomethyl)-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H14N2O3/c14-8-11-9-15(13(17)18-11)12(16)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9,14H2
InChI Key:
QKZRUKWHOMOXCK-UHFFFAOYSA-N
SMILES:
NCC1CN(C(=O)O1)C(=O)C=Cc1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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