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758723-62-5 | 1-DOCOSYLOXYMETHYLPYRENE
CAS No: 758723-62-5 Catalog No: AG005HYP MDL No:
Product Description
Catalog Number:
AG005HYP
Chemical Name:
1-DOCOSYLOXYMETHYLPYRENE
CAS Number:
758723-62-5
Molecular Formula:
C39H56O
Molecular Weight:
540.8613
IUPAC Name:
1-(docosoxymethyl)pyrene
InChI:
InChI=1S/C39H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-40-32-36-28-27-35-26-25-33-23-22-24-34-29-30-37(36)39(35)38(33)34/h22-30H,2-21,31-32H2,1H3
InChI Key:
AORQDUSSIGIZJP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCOCc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.433g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
540.876g/mol
Monoisotopic Mass:
540.433g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.7
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