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113900-09-7 | 2-Propenamide, N-ethyl-3-(4-hydroxy-3-methoxyphenyl)-
CAS No: 113900-09-7 Catalog No: AG000A0S MDL No:
Product Description
Catalog Number:
AG000A0S
Chemical Name:
2-Propenamide, N-ethyl-3-(4-hydroxy-3-methoxyphenyl)-
CAS Number:
113900-09-7
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
N-ethyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
InChI:
InChI=1S/C12H15NO3/c1-3-13-12(15)7-5-9-4-6-10(14)11(8-9)16-2/h4-8,14H,3H2,1-2H3,(H,13,15)
InChI Key:
GVQLNWOADADFQZ-UHFFFAOYSA-N
SMILES:
CCNC(=O)C=Cc1ccc(c(c1)OC)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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