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138143-29-0 | 1-Pyrenecarboxamide, N-(2-phenylethyl)-
CAS No: 138143-29-0 Catalog No: AG001812 MDL No:
Product Description
Catalog Number:
AG001812
Chemical Name:
1-Pyrenecarboxamide, N-(2-phenylethyl)-
CAS Number:
138143-29-0
Molecular Formula:
C25H19NO
Molecular Weight:
349.4245
IUPAC Name:
N-(2-phenylethyl)pyrene-1-carboxamide
InChI:
InChI=1S/C25H19NO/c27-25(26-16-15-17-5-2-1-3-6-17)22-14-12-20-10-9-18-7-4-8-19-11-13-21(22)24(20)23(18)19/h1-14H,15-16H2,(H,26,27)
InChI Key:
ULCIUOLODYBENV-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c3c1ccc1c3c(cc2)ccc1)NCCc1ccccc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.147g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.433g/mol
Monoisotopic Mass:
349.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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