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825629-38-7 | 3-Triacontanone, 1-phenyl-
CAS No: 825629-38-7 Catalog No: AG0053OE MDL No:
Product Description
Catalog Number:
AG0053OE
Chemical Name:
3-Triacontanone, 1-phenyl-
CAS Number:
825629-38-7
Molecular Formula:
C36H64O
Molecular Weight:
512.8928
IUPAC Name:
1-phenyltriacontan-3-one
InChI:
InChI=1S/C36H64O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-36(37)34-33-35-30-27-26-28-31-35/h26-28,30-31H,2-25,29,32-34H2,1H3
InChI Key:
QMCVDHAEKUXGCO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCc1ccccc1
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.496g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.907g/mol
Monoisotopic Mass:
512.496g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.7
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