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849501-57-1 | 1-Pyrenebutanoic acid, decyl ester
CAS No: 849501-57-1 Catalog No: AG0052ZX MDL No:
Product Description
Catalog Number:
AG0052ZX
Chemical Name:
1-Pyrenebutanoic acid, decyl ester
CAS Number:
849501-57-1
Molecular Formula:
C30H36O2
Molecular Weight:
428.6056
IUPAC Name:
decyl 4-pyren-1-ylbutanoate
InChI:
InChI=1S/C30H36O2/c1-2-3-4-5-6-7-8-9-22-32-28(31)15-11-12-23-16-17-26-19-18-24-13-10-14-25-20-21-27(23)30(26)29(24)25/h10,13-14,16-21H,2-9,11-12,15,22H2,1H3
InChI Key:
RPUOASDSFVSAPI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)CCCc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.272g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.616g/mol
Monoisotopic Mass:
428.272g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10
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