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120015-02-3 | Acetamide, N-4-pyrenyl-
CAS No: 120015-02-3 Catalog No: AG000Q3E MDL No:
Product Description
Catalog Number:
AG000Q3E
Chemical Name:
Acetamide, N-4-pyrenyl-
CAS Number:
120015-02-3
Molecular Formula:
C18H13NO
Molecular Weight:
259.3019
IUPAC Name:
N-pyren-4-ylacetamide
InChI:
InChI=1S/C18H13NO/c1-11(20)19-16-10-14-6-2-4-12-8-9-13-5-3-7-15(16)18(13)17(12)14/h2-10H,1H3,(H,19,20)
InChI Key:
ZTMDPCNUNXVEAT-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2cccc3c2c2c1cccc2cc3
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.308g/mol
Monoisotopic Mass:
259.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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