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127085-34-1 | 2-Butenamide, 3-methoxy-N-(phenylmethyl)-, (E)- (9CI)
CAS No: 127085-34-1 Catalog No: AG000WNE MDL No:
Product Description
Catalog Number:
AG000WNE
Chemical Name:
2-Butenamide, 3-methoxy-N-(phenylmethyl)-, (E)- (9CI)
CAS Number:
127085-34-1
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
N-benzyl-3-methoxybut-2-enamide
InChI:
InChI=1S/C12H15NO2/c1-10(15-2)8-12(14)13-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,13,14)
InChI Key:
QVWXJJIANSRTIP-UHFFFAOYSA-N
SMILES:
CO/C(=C/C(=O)NCc1ccccc1)/C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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