10-Oxoundecanoic acid

CAT: 0127-OR1071857-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071857-01Size:100 mg

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CAS Number

676-00-6

MDL Number

MFCD00093300

Purity

95%

Smiles

CC(CCCCCCCCC(O)=O)=O

Chemical Information

9-Acetyl pelargonic acid

9-acetyl pelargonic acid is an oxo carboxylic acid.

CAS Number	676-00-6
PubChem CID	69606
IUPAC Name	10-oxoundecanoic acid
Molecular Formula	C11H20O3
Molecular Weight	200.27
XLogP	2.5
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	14
Formal Charge	0
Complexity	175

SMILES

CC(=O)CCCCCCCCC(=O)O

InChI

InChI=1S/C11H20O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h2-9H2,1H3,(H,13,14)

InChIKey

UKHMENMPHVRROO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 676-00-6

CID: 69606

Formula: C11H20O3

MW: 200.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.27
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	200.14124450
Monoisotopic Mass	200.14124450
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	175
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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OR1070962-01	10-Oxododecanoic acid
OR1055874-01	10-Oxodecanoic acid
OR92573-01	10- (Benzyloxy) -10-oxodecanoic acid
OR1059005-01	10-Amino-10-oxodecanoic acid
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OR1049613-01	10- ((2,5-Dioxopyrrolidin-1-yl) oxy) -10-oxodecanoic acid