Heptadecanedioic Acid

CAT: 0024-sc-486900Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-486900Size:1 g

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CAS Number

2424-90-0

Chemical Information

Heptadecanedioic acid

Heptadecanedioic acid is a long-chain fatty acid.

CAS Number	2424-90-0
PubChem CID	3083765
IUPAC Name	heptadecanedioic acid
Molecular Formula	C17H32O4
Molecular Weight	300.4
XLogP	5.9
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Heavy Atom Count	21
Formal Charge	0
Complexity	238

SMILES

C(CCCCCCCC(=O)O)CCCCCCCC(=O)O

InChI

InChI=1S/C17H32O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-15H2,(H,18,19)(H,20,21)

InChIKey

QCNWZROVPSVEJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2424-90-0

CID: 3083765

Formula: C17H32O4

MW: 300.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.4
XLogP3	5.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Exact Mass	300.23005950
Monoisotopic Mass	300.23005950
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	238
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-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
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
JH222172	HEPTADECANEDIOIC ACID
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)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)