Heptadecanophenone

CAT: 0127-OR1079230-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1079230-01Size:5 g

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

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CAS Number

128189-46-8

MDL Number

MFCD00191443

Purity

>98.0%

Smiles

CCCCCCCCCCCCCCCCC (=O) C1=CC=CC=C1

Chemical Information

Heptadecanophenone

CAS Number	128189-46-8
PubChem CID	577626
IUPAC Name	1-phenylheptadecan-1-one
Molecular Formula	C23H38O
Molecular Weight	330.5
XLogP	9.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	16
Heavy Atom Count	24
Formal Charge	0
Complexity	278

SMILES

CCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3

InChIKey

VUXIOSYYRVXOOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128189-46-8

CID: 577626

Formula: C23H38O

MW: 330.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.5
XLogP3	9.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	16
Exact Mass	330.292265831
Monoisotopic Mass	330.292265831
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	278
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
sc-486389	Heptadecanophenone