2-Heptacosanone

CAT: 1596-AR-P30672-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30672-02Size:25 Units

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CAS Number

7796-19-2

Molecular Formula

C27H54O

Molecular Weight

394.73

API Name

Pentacosane

Chemical Information

2-Heptacosanone

heptacosan-2-one has been reported in Solanum tuberosum and Cynomorium songaricum with data available.

CAS Number	7796-19-2
PubChem CID	547857
IUPAC Name	heptacosan-2-one
Molecular Formula	C27H54O
Molecular Weight	394.7
XLogP	12.8
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

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C

InChI

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

InChIKey

MJEFMWGOVVCQIK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7796-19-2

CID: 547857

Formula: C27H54O

MW: 394.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	394.7
XLogP3	12.8
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

Catalog	Name
AR-H07457-01	N-HEPTACOSANE
AR-C08648-01	1-Cyclopentyl-Heptacosane
AR-B06674-01	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) Benzoate
AR-M03112	2,2,2-Trichloroethanol
AR-S09242-01	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]ethyl Methanesulfonate
AR-V01805-01	2- (2- (2-fluorophenyl) -2-oxoethyl) malononitrile
AR-C07166-01	2,2,2-Trichloroethyl Chloroformate
AR-A01250-01	2,2-Dimethoxy-2-Phenylacetophenone
AR-P32875-01	2- (2-Naphthyl) -2-Propanol
AR-P01078-01	(Z) -methyl 2- (2,2-dimethoxyethyl) but-2-enoate

Catalog	Name
TRC-H265240-250MG	2-Heptacosanone
TRC-H268520-2.5G	14-Heptacosanone
TRC-H789345-25MG	12-Heptacosanone
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-005	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate