Cyclododecanecarboxylic acid

CAT: 0024-sc-234440Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-234440Size:1 g

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CAS Number

884-36-6

Chemical Information

Cyclododecanecarboxylic acid

CAS Number	884-36-6
PubChem CID	70165
IUPAC Name	cyclododecanecarboxylic acid
Molecular Formula	C13H24O2
Molecular Weight	212.33
XLogP	5.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	165

SMILES

C1CCCCCC(CCCCC1)C(=O)O

InChI

InChI=1S/C13H24O2/c14-13(15)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,14,15)

InChIKey

JWIPDQOXAJMVHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 884-36-6

CID: 70165

Formula: C13H24O2

MW: 212.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.33
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	212.177630004
Monoisotopic Mass	212.177630004
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	165
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
sc-207666	Ethylenediaminediacetic Acid Dipropionic Acid
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-208143B	P-Aminobenzoic acid, Free Acid
sc-208143A	P-Aminobenzoic acid, Free Acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-202686	L-Ascorbic acid, free acid
sc-208143	P-Aminobenzoic acid, Free Acid
sc-221248	Aminomalonic Acid Bis (4-aminobutyric Acid) amide Trifluoroacetic Acid Salt

Catalog	Name
OR1071368-01	Acid-apeg6-acid
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275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)
BIM1576-01	Okadaic acid, free acid
P0320-01	Polyinosinic Acid-Polycytidylic Acid