9-Mercaptononanoic acid

CAT: 0127-OR1073669-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1073669-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

204063-54-7

MDL Number

MFCD20639107

Purity

95%

Smiles

O=C(O)CCCCCCCCS

Chemical Information

9-Mercaptononanoic acid

CAS Number	204063-54-7
PubChem CID	11424070
IUPAC Name	9-sulfanylnonanoic acid
Molecular Formula	C9H18O2S
Molecular Weight	190.31
XLogP	1.4
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	12
Formal Charge	0
Complexity	115

SMILES

C(CCCCS)CCCC(=O)O

InChI

InChI=1S/C9H18O2S/c10-9(11)7-5-3-1-2-4-6-8-12/h12H,1-8H2,(H,10,11)

InChIKey

IHFVMIBWPIRORL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 204063-54-7

CID: 11424070

Formula: C9H18O2S

MW: 190.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.31
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	190.10275099
Monoisotopic Mass	190.10275099
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	115
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
OR1070503-01	9-Ethoxy-9-oxononanoic acid
OR1047879-01	9-Amino-9-oxononanoic acid
OR1063090-01	9-Hydroxyhexadecanoic acid
BUP06472-01	9-Oxononanoic Acid
OR83993-01	9-Decynoic acid
OR315586-01	9-Hydroxynonanoic acid
OR303566-01	9-Anthraceneboronic acid
OR0893	9-Phenylnonanoic acid
OR11121-01	9-Anthracenecarboxylic acid
PC4662-01	9-Chloroperfluorononanoic acid

Catalog	Name
TYD-01928-01	9-Ethoxy-9-oxononanoic acid
DAA30017-01	9-Methylfluorene-9-carboxylic acid
sc-233735	9-Hydroxy-9-fluorenecarboxylic acid
P144518	Hexadecanoic-9,9-d2 Acid
MBS3920182-01	9(Z)-9-Octadecenedioic acid
459552-01	N-Nonanoic-9,9,9-d3 acid
FAA61797-01	9-Cyclopropylnonanoic acid
HY-N11692-01	9-Hydroxyoctadecanoic acid
TRC-A678455-25G	9-Anthracenecarboxylic Acid
TXB-00275-01	Acid red 9