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115097-01-3 | Docosanoic acid, 4-oxo-
CAS No: 115097-01-3 Catalog No: AG000FW3 MDL No:
Product Description
Catalog Number:
AG000FW3
Chemical Name:
Docosanoic acid, 4-oxo-
CAS Number:
115097-01-3
Molecular Formula:
C22H42O3
Molecular Weight:
354.5671
IUPAC Name:
4-oxodocosanoic acid
InChI:
InChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h2-20H2,1H3,(H,24,25)
InChI Key:
HZKNWRQSWZMFSK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC(=O)CCC(=O)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.313g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.575g/mol
Monoisotopic Mass:
354.313g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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