Chaetomellic acid A

CAT: 0024-sc-221420ASize: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-221420ASize:25 mg

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CAS Number

148796-51-4

Chemical Information

Chaetomellic Acid A

Chaetomellic acid A is a long-chain fatty acid.

CAS Number	148796-51-4
PubChem CID	3037595
IUPAC Name	(Z)-2-methyl-3-tetradecylbut-2-enedioic acid
Molecular Formula	C19H34O4
Molecular Weight	326.5
XLogP	7.2
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	15
Heavy Atom Count	23
Formal Charge	0
Complexity	372

SMILES

CCCCCCCCCCCCCC/C(=C(\C)/C(=O)O)/C(=O)O

InChI

InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h3-15H2,1-2H3,(H,20,21)(H,22,23)/b17-16-

InChIKey

ULSDRNDLXFVDED-MSUUIHNZSA-N

Chemical Structure

2D Structure

CAS: 148796-51-4

CID: 3037595

Formula: C19H34O4

MW: 326.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.5
XLogP3	7.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	15
Exact Mass	326.24570956
Monoisotopic Mass	326.24570956
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	372
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
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-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-208143B	P-Aminobenzoic acid, Free Acid
sc-208143A	P-Aminobenzoic acid, Free Acid
sc-221248	Aminomalonic Acid Bis (4-aminobutyric Acid) amide Trifluoroacetic Acid Salt

Catalog	Name
BML-G229-0025	Chaetomellic acid A
005991	Chaetomellic Acid A Anhydride
268084-01	Chaetomellic acid B anhydride
005989	Chaetomellic Acid A Disodium Salt
005993	Chaetomellic Acid B Disodium Salt
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)