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80045-52-9 | Benzamide,N-(1,1-dimethyl-2-propyn-1-yl)-4-(1-methylethyl)-
CAS No: 80045-52-9 Catalog No: AG0055AE MDL No:
Product Description
Catalog Number:
AG0055AE
Chemical Name:
Benzamide,N-(1,1-dimethyl-2-propyn-1-yl)-4-(1-methylethyl)-
CAS Number:
80045-52-9
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
IUPAC Name:
N-(2-methylbut-3-yn-2-yl)-4-propan-2-ylbenzamide
InChI:
InChI=1S/C15H19NO/c1-6-15(4,5)16-14(17)13-9-7-12(8-10-13)11(2)3/h1,7-11H,2-5H3,(H,16,17)
InChI Key:
IJSXOOSTBVECCN-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(=O)NC(C#C)(C)C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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