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15745-06-9 | 2-Butenamide, N-butyl-3-methyl-
CAS No: 15745-06-9 Catalog No: AG001PGO MDL No:
Product Description
Catalog Number:
AG001PGO
Chemical Name:
2-Butenamide, N-butyl-3-methyl-
CAS Number:
15745-06-9
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
IUPAC Name:
N-butyl-3-methylbut-2-enamide
InChI:
InChI=1S/C9H17NO/c1-4-5-6-10-9(11)7-8(2)3/h7H,4-6H2,1-3H3,(H,10,11)
InChI Key:
IKKCXQNHNXZNNV-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)C=C(C)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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