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123724-71-0 | 9-Anthracenecarboxylic acid, 6-(1H-pyrrol-1-yl)hexyl ester
CAS No: 123724-71-0 Catalog No: AG000L0E MDL No:
Product Description
Catalog Number:
AG000L0E
Chemical Name:
9-Anthracenecarboxylic acid, 6-(1H-pyrrol-1-yl)hexyl ester
CAS Number:
123724-71-0
Molecular Formula:
C25H25NO2
Molecular Weight:
371.4715
IUPAC Name:
6-pyrrol-1-ylhexyl anthracene-9-carboxylate
InChI:
InChI=1S/C25H25NO2/c27-25(28-18-10-2-1-7-15-26-16-8-9-17-26)24-22-13-5-3-11-20(22)19-21-12-4-6-14-23(21)24/h3-6,8-9,11-14,16-17,19H,1-2,7,10,15,18H2
InChI Key:
HORTWHVKQZKJQY-UHFFFAOYSA-N
SMILES:
O=C(c1c2ccccc2cc2c1cccc2)OCCCCCCn1cccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.189g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.48g/mol
Monoisotopic Mass:
371.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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