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18787-66-1 | 3-Pentadecanone
CAS No: 18787-66-1 Catalog No: AG002GJI MDL No:MFCD00048447
Product Description
Catalog Number:
AG002GJI
Chemical Name:
3-Pentadecanone
CAS Number:
18787-66-1
Molecular Formula:
C15H30O
Molecular Weight:
226.3981
MDL Number:
MFCD00048447
IUPAC Name:
pentadecan-3-one
InChI:
InChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-14H2,1-2H3
InChI Key:
YELXTWKVTZTDCM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(=O)CC
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.23g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.404g/mol
Monoisotopic Mass:
226.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| Correlation between chemical structure and biological activities of Porphyromonas gingivalis synthetic lipopeptide derivatives. | Clinical and experimental immunology 20061001 |
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