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70444-63-2 | Hexadecanoic acid, 5-oxo-
CAS No: 70444-63-2 Catalog No: AG005IWK MDL No:
Product Description
Catalog Number:
AG005IWK
Chemical Name:
Hexadecanoic acid, 5-oxo-
CAS Number:
70444-63-2
Molecular Formula:
C16H30O3
Molecular Weight:
270.4076
IUPAC Name:
5-oxohexadecanoic acid
InChI:
InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
InChI Key:
YPCLNPGINNEYIB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)CCCC(=O)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.219g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.413g/mol
Monoisotopic Mass:
270.219g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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