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113900-08-6 | 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-propyl-
CAS No: 113900-08-6 Catalog No: AG000A0T MDL No:
Product Description
Catalog Number:
AG000A0T
Chemical Name:
2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-propyl-
CAS Number:
113900-08-6
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
3-(4-hydroxy-3-methoxyphenyl)-N-propylprop-2-enamide
InChI:
InChI=1S/C13H17NO3/c1-3-8-14-13(16)7-5-10-4-6-11(15)12(9-10)17-2/h4-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChI Key:
HQVFZAGSIYVIOH-UHFFFAOYSA-N
SMILES:
CCCNC(=O)C=Cc1ccc(c(c1)OC)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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