5-Oxoazelaic acid

CAT: 0926-HCA82206-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-HCA82206-01Size:1 g

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CAS Number

57822-06-7

MDL Number

MFCD00075542

Smiles

C (CC (=O) CCCC (=O) O) CC (=O) O

Molecular Formula

C9H14O5

Molecular Weight

202.2 g/mol

Controlled

Chemical Information

5-Oxoazelaic Acid

CAS Number	57822-06-7
PubChem CID	269945
IUPAC Name	5-oxononanedioic acid
Molecular Formula	C9H14O5
Molecular Weight	202.20
XLogP	-0.3
Topological Polar Surface Area	91.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	14
Formal Charge	0
Complexity	199

SMILES

C(CC(=O)CCCC(=O)O)CC(=O)O

InChI

InChI=1S/C9H14O5/c10-7(3-1-5-8(11)12)4-2-6-9(13)14/h1-6H2,(H,11,12)(H,13,14)

InChIKey

GTCHZEFRDKAINX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57822-06-7

CID: 269945

Formula: C9H14O5

MW: 202.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.20
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	202.08412354
Monoisotopic Mass	202.08412354
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	199
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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