Myristophenone

CAT: 0127-OR1029647-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1029647-02Size:5 g

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

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CAS Number

4497-05-6

Synonyms

1-phenyltetradecan-1-one

Purity

98%

Smiles

CCCCCCCCCCCCCC(=O)C1=CC=CC=C1

Chemical Information

Myristophenone

CAS Number	4497-05-6
PubChem CID	78248
IUPAC Name	1-phenyltetradecan-1-one
Molecular Formula	C20H32O
Molecular Weight	288.5
XLogP	7.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Heavy Atom Count	21
Formal Charge	0
Complexity	240

SMILES

CCCCCCCCCCCCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3

InChIKey

LXUIUVLDNRQBQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4497-05-6

CID: 78248

Formula: C20H32O

MW: 288.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.5
XLogP3	7.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	288.245315640
Monoisotopic Mass	288.245315640
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	240
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
M33010	Myristophenone