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141578-11-2 | 2-Propenoic acid, 2-cyano-3-(7-methoxy-1-pyrenyl)-, ethyl ester
CAS No: 141578-11-2 Catalog No: AG001GMA MDL No:
Product Description
Catalog Number:
AG001GMA
Chemical Name:
2-Propenoic acid, 2-cyano-3-(7-methoxy-1-pyrenyl)-, ethyl ester
CAS Number:
141578-11-2
Molecular Formula:
C23H17NO3
Molecular Weight:
355.3860
IUPAC Name:
ethyl 2-cyano-3-(7-methoxypyren-1-yl)prop-2-enoate
InChI:
InChI=1S/C23H17NO3/c1-3-27-23(25)18(13-24)10-15-6-4-14-5-7-16-11-19(26-2)12-17-8-9-20(15)22(14)21(16)17/h4-12H,3H2,1-2H3
InChI Key:
GPJNBHISXHITPF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc2c3c1ccc1c3c(cc2)cc(c1)OC)C#N
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.121g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.393g/mol
Monoisotopic Mass:
355.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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