12-Tridecenoic acid

CAT: 0024-sc-506296Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-506296Size:100 mg

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CAS Number

6006-06-0

Chemical Information

12-Tridecenoic acid

12-tridecenoic acid is a long-chain fatty acid.

CAS Number	6006-06-0
PubChem CID	5282737
IUPAC Name	tridec-12-enoic acid
Molecular Formula	C13H24O2
Molecular Weight	212.33
XLogP	4.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	11
Heavy Atom Count	15
Formal Charge	0
Complexity	164

SMILES

C=CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15)

InChIKey

PARCICAYFORNPH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6006-06-0

CID: 5282737

Formula: C13H24O2

MW: 212.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.33
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	11
Exact Mass	212.177630004
Monoisotopic Mass	212.177630004
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	164
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-288320A	2-Tridecenoic Acid
sc-288320	2-Tridecenoic Acid
sc-213597	12-Hydroxyoctadecanoic acid
sc-213602	12-Methyltridecanoic acid
sc-251621	12-Mercaptododecanoic acid
sc-213597B	12-Hydroxyoctadecanoic acid
sc-265116	12-Aminododecanoic acid
sc-213601	12-Methyltetradecanoic acid
sc-396978	12-Mercaptododecylphosphonic acid
sc-471342	12-Methoxydodecanoic acid

Catalog	Name
MBS392060-01	12-Tridecenoic Acid
T294845	Omega-Tridecenoic Acid
HY-W127562-01	2-Tridecenoic acid
MBS394109-01	13[(2(R),3S)-3-pentyloxiranyl]-8(Z)-tridecenoic acid
MBS394108-01	13-[(2(R),3S)-3-pentyloxiranyl]-5(Z)-tridecenoic acid
MBS393774-01	Dodecanoic-12,12,12-D3 Acid
HY-W129669	12- (Benzyloxy) -12-oxododecanoic acid
OR1009331-01	12-Ethoxy-12-Oxododecanoic Acid
GTR19270503-01	12-hydroxy-12-methyltetradecanoic acid
HY-W098050	12-Methoxy-12-oxododecanoic acid