10-Oxononadecanedioic acid

CAT: 0127-OR1042995-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1042995-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

18197-46-1

Purity

96%

Smiles

O=C(CCCCCCCCC(=O)O)CCCCCCCCC(=O)O

Chemical Information

10-Oxononadecanedioic acid

CAS Number	18197-46-1
PubChem CID	14991060
IUPAC Name	10-oxononadecanedioic acid
Molecular Formula	C19H34O5
Molecular Weight	342.5
XLogP	4.6
Topological Polar Surface Area	91.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	18
Heavy Atom Count	24
Formal Charge	0
Complexity	320

SMILES

C(CCCCC(=O)O)CCCC(=O)CCCCCCCCC(=O)O

InChI

InChI=1S/C19H34O5/c20-17(13-9-5-1-3-7-11-15-18(21)22)14-10-6-2-4-8-12-16-19(23)24/h1-16H2,(H,21,22)(H,23,24)

InChIKey

XOLMOPYKUVSLDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18197-46-1

CID: 14991060

Formula: C19H34O5

MW: 342.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.5
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	18
Exact Mass	342.24062418
Monoisotopic Mass	342.24062418
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	320
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