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18276-99-8 | 5-Octadecanone
CAS No: 18276-99-8 Catalog No: AG00244S MDL No:
Product Description
Catalog Number:
AG00244S
Chemical Name:
5-Octadecanone
CAS Number:
18276-99-8
Molecular Formula:
C18H36O
Molecular Weight:
268.4778
IUPAC Name:
octadecan-5-one
InChI:
InChI=1S/C18H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h3-17H2,1-2H3
InChI Key:
RLQCXKKPOOBJFD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)CCCC
NSC Number:
101078
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.277g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.485g/mol
Monoisotopic Mass:
268.277g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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