N-Octanoic Anhydride

CAT: 0024-sc-488200ASize: 500 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-488200ASize:500 mL

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CAS Number

623-66-5

Chemical Information

Octanoic anhydride

CAS Number	623-66-5
PubChem CID	69340
IUPAC Name	octanoyl octanoate
Molecular Formula	C16H30O3
Molecular Weight	270.41
XLogP	5.9
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Heavy Atom Count	19
Formal Charge	0
Complexity	212

SMILES

CCCCCCCC(=O)OC(=O)CCCCCCC

InChI

InChI=1S/C16H30O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3

InChIKey

RAFYDKXYXRZODZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 623-66-5

CID: 69340

Formula: C16H30O3

MW: 270.41

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.41
XLogP3	5.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Exact Mass	270.21949481
Monoisotopic Mass	270.21949481
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	212
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
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279628	N-Hexadecylsuccinic anhydride
TRC-C175708-500MG	N-Caprylic anhydride
OR4641	N-Benzylisatoic anhydride
OR7532	N-Allylisatoic anhydride
B31500	N-Butyric anhydride
T03580	N-Tetradecylsuccinic Anhydride
O01520	N-Octenylsuccinic anhydride
165363	N-Carboxyalanine Anhydride