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892875-39-7 | 6-Heptynamide, N-phenyl-
CAS No: 892875-39-7 Catalog No: AG00414R MDL No:
Product Description
Catalog Number:
AG00414R
Chemical Name:
6-Heptynamide, N-phenyl-
CAS Number:
892875-39-7
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
N-phenylhept-6-ynamide
InChI:
InChI=1S/C13H15NO/c1-2-3-4-8-11-13(15)14-12-9-6-5-7-10-12/h1,5-7,9-10H,3-4,8,11H2,(H,14,15)
InChI Key:
ZCZQALFHBKOGEJ-UHFFFAOYSA-N
SMILES:
C#CCCCCC(=O)Nc1ccccc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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