11-Heneicosanone

CAT: 0127-OR1078569-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1078569-01Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

19781-72-7

Synonyms

Didecyl Ketone

MDL Number

MFCD00048410

Purity

>95.0%

Smiles

CCCCCCCCCCC (=O) CCCCCCCCCC

Chemical Information

11-Heneicosanone

CAS Number	19781-72-7
PubChem CID	29776
IUPAC Name	henicosan-11-one
Molecular Formula	C21H42O
Molecular Weight	310.6
XLogP	9.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	18
Heavy Atom Count	22
Formal Charge	0
Complexity	200

SMILES

CCCCCCCCCCC(=O)CCCCCCCCCC

InChI

InChI=1S/C21H42O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

InChIKey

DOACSXJVHDTDSG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19781-72-7

CID: 29776

Formula: C21H42O

MW: 310.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.6
XLogP3	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	18
Exact Mass	310.323565959
Monoisotopic Mass	310.323565959
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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