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821786-77-0 | Octadecenoic acid, 3-oxo-
CAS No: 821786-77-0 Catalog No: AG00578J MDL No:
Product Description
Catalog Number:
AG00578J
Chemical Name:
Octadecenoic acid, 3-oxo-
CAS Number:
821786-77-0
Molecular Formula:
C18H32O3
Molecular Weight:
296.4449
IUPAC Name:
3-oxooctadec-4-enoic acid
InChI:
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h14-15H,2-13,16H2,1H3,(H,20,21)
InChI Key:
OLXLIUHXNLTPAH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC=CC(=O)CC(=O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.235g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.451g/mol
Monoisotopic Mass:
296.235g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.9
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