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177659-26-6 | 2-Propynamide, N-(phenylmethyl)-N-2-propyn-1-yl-
CAS No: 177659-26-6 Catalog No: AG0025G1 MDL No:
Product Description
Catalog Number:
AG0025G1
Chemical Name:
2-Propynamide, N-(phenylmethyl)-N-2-propyn-1-yl-
CAS Number:
177659-26-6
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
N-benzyl-N-prop-2-ynylprop-2-ynamide
InChI:
InChI=1S/C13H11NO/c1-3-10-14(13(15)4-2)11-12-8-6-5-7-9-12/h1-2,5-9H,10-11H2
InChI Key:
QCYCHZLVAQTION-UHFFFAOYSA-N
SMILES:
C#CCN(C(=O)C#C)Cc1ccccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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