9-Decenoic acid

CAT: 0024-sc-281505ESize: 500 gDry Ice: NoHazardous: No

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CAT#:0024-sc-281505ESize:500 g

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CAS Number

14436-32-9

Chemical Information

9-Decenoic acid

Dec-9-enoic acid is a decenoic acid having the double bond at position 9. It has a role as a metabolite. It is a conjugate acid of a dec-9-enoate.

CAS Number	14436-32-9
PubChem CID	61743
IUPAC Name	dec-9-enoic acid
Molecular Formula	C10H18O2
Molecular Weight	170.25
XLogP	3.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	12
Formal Charge	0
Complexity	130

SMILES

C=CCCCCCCCC(=O)O

InChI

InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)

InChIKey

KHAVLLBUVKBTBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14436-32-9

CID: 61743

Formula: C10H18O2

MW: 170.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.25
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	170.130679813
Monoisotopic Mass	170.130679813
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
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-289126	3-Decenoic Acid
sc-396623A	Cis-2-Decenoic acid
sc-396623	Cis-2-Decenoic acid
sc-296572	Trans-2-Decenoic Acid
sc-233735	9-Hydroxy-9-fluorenecarboxylic acid
sc-252325	9-Phenanthracenylboronic acid
sc-227147	9-Undecynoic acid
sc-479458	9-Acridinecarboxylic Acid
sc-478728	9-Oxofolic Acid
sc-233730	9-Fluoreneacetic acid