12-Heptacosanone

CAT: 0572-TRC-H789345-25MGSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-H789345-25MGSize:25 mg

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CAS Number

31534-85-7

Synonyms

12-Heptacosanone

Hazard Statement

No Data Available

Purity

>95% (GC)

Smiles

CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCC

Molecular Formula

C27H54O

Molecular Weight

394.72

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Heptacosan-12-one

CAS Number	31534-85-7
PubChem CID	56936233
IUPAC Name	heptacosan-12-one
Molecular Formula	C27H54O
Molecular Weight	394.7
XLogP	12.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	24
Heavy Atom Count	28
Formal Charge	0
Complexity	297

SMILES

CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCC

InChI

InChI=1S/C27H54O/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-27(28)25-23-21-19-17-12-10-8-6-4-2/h3-26H2,1-2H3

InChIKey

DODSCVAYARBHIX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31534-85-7

CID: 56936233

Formula: C27H54O

MW: 394.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	394.7
XLogP3	12.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	24
Exact Mass	394.417466342
Monoisotopic Mass	394.417466342
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	297
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

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Alternative Products

Catalog	Name
HY-W722275-01	12-Heptacosanone
OR1025220-01	14-Heptacosanone
AR-P30672-01	2-Heptacosanone
1612661	A-12, adapter for 12
TGA70396-01	12,12,12-Trifluorododecane-1-thiol
216666	Interleukin 12 (Interleukin-12, IL-12)
PC106514	12,12,12-Trifluorododecan-1-ol
MBS393774-01	Dodecanoic-12,12,12-D3 Acid
A3000-90A	Aquaporin 12 (Aquaporin-12, AQP-12, AQP12)
C2088-59J	CASP12 (Caspase-12, CASP-12, Caspase 12)

12-Heptacosanone

Chemical Information

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