Caproic anhydride (Hexanoic anhydride)

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CAS Number

2051-49-2

Molecular Formula

[CH3 (CH2) 4CO]2O

Molecular Weight

214.3

Chemical Information

Hexanoic anhydride

hexanoic anhydride has been reported in Nicotiana tabacum with data available.

CAS Number	2051-49-2
PubChem CID	74918
IUPAC Name	hexanoyl hexanoate
Molecular Formula	C12H22O3
Molecular Weight	214.30
XLogP	3.7
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Heavy Atom Count	15
Formal Charge	0
Complexity	167

SMILES

CCCCCC(=O)OC(=O)CCCCC

InChI

InChI=1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3

InChIKey

PKHMTIRCAFTBDS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2051-49-2

CID: 74918

Formula: C12H22O3

MW: 214.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.30
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Exact Mass	214.15689456
Monoisotopic Mass	214.15689456
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	167
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
105320 25	2-Ethyl Hexanoic Acid for Synthesis (Ethyl Caproic Acid, Octoic Acid)
105320 500	2-Ethyl Hexanoic Acid for Synthesis (Ethyl Caproic Acid, Octoic Acid)
105320 2.5	2-Ethyl Hexanoic Acid for Synthesis (Ethyl Caproic Acid, Octoic Acid)
108160 100	Heptanoic anhydride
1021000 100	BOC-Anhydride
107370 500	Glutaric anhydride
107370 100	Glutaric anhydride
107370 25	Glutaric anhydride
11911510 500	Succinic Anhydride for Synthesis
11911510 100	Succinic Anhydride for Synthesis

Catalog	Name
TYD-01012-01	Hexanoic anhydride
C02430-01	N-Caproic anhydride 98%
TRC-U192185-1G	Undecafluoro-hexanoic acid Anhydride (>85%)
15025222-25g	2,3-Pyridinedicarboxylic anhydride (Quinolinic anhydride)
GTR19202281-01	Nicotinic anhydride
FI01742-01	Isatoic anhydride
FD11051-01	Diglycolic anhydride
FC47323-01	Citraconic anhydride
FT36717-01	Trimellitic anhydride
FS165392	Suberic anhydride