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823821-52-9 | Acetamide, 2-cyano-N-[2-(3,4-dimethoxyphenyl)-1-methylethyl]-
CAS No: 823821-52-9 Catalog No: AG005C2P MDL No:
Product Description
Catalog Number:
AG005C2P
Chemical Name:
Acetamide, 2-cyano-N-[2-(3,4-dimethoxyphenyl)-1-methylethyl]-
CAS Number:
823821-52-9
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
IUPAC Name:
2-cyano-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
InChI:
InChI=1S/C14H18N2O3/c1-10(16-14(17)6-7-15)8-11-4-5-12(18-2)13(9-11)19-3/h4-5,9-10H,6,8H2,1-3H3,(H,16,17)
InChI Key:
JFNBDMUTMZOTTF-UHFFFAOYSA-N
SMILES:
N#CCC(=O)NC(Cc1ccc(c(c1)OC)OC)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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