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900014-85-9 | 3'-[(Pyrrolidin-1-yl)ethynyl]acetanilide
CAS No: 900014-85-9 Catalog No: AG01FGF0 MDL No:
Product Description
Catalog Number:
AG01FGF0
Chemical Name:
3'-[(Pyrrolidin-1-yl)ethynyl]acetanilide
CAS Number:
900014-85-9
IUPAC Name:
N-[3-(2-pyrrolidin-1-ylethynyl)phenyl]acetamide
InChI:
InChI=1S/C14H16N2O/c1-12(17)15-14-6-4-5-13(11-14)7-10-16-8-2-3-9-16/h4-6,11H,2-3,8-9H2,1H3,(H,15,17)
InChI Key:
PQNYPOJVTGMCIQ-UHFFFAOYSA-N
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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