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73282-84-5 | 1-Pyrenecarboxylic acid, 2-(methylphenylamino)ethyl ester
CAS No: 73282-84-5 Catalog No: AG005F83 MDL No:
Product Description
Catalog Number:
AG005F83
Chemical Name:
1-Pyrenecarboxylic acid, 2-(methylphenylamino)ethyl ester
CAS Number:
73282-84-5
Molecular Formula:
C26H21NO2
Molecular Weight:
379.4504
IUPAC Name:
2-(N-methylanilino)ethyl pyrene-1-carboxylate
InChI:
InChI=1S/C26H21NO2/c1-27(21-8-3-2-4-9-21)16-17-29-26(28)23-15-13-20-11-10-18-6-5-7-19-12-14-22(23)25(20)24(18)19/h2-15H,16-17H2,1H3
InChI Key:
DUUIWHQMZWTKJR-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)CCOC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.157g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.459g/mol
Monoisotopic Mass:
379.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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