Suberic acid monomethyl ester

CAT: 0127-OR315402-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR315402-01Size:5 g

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CAS Number

3946-32-5

Synonyms

8-Methoxy-8-oxooctanoic acid

MDL Number

MFCD00004427

Purity

97%

Smiles

COC(=O)CCCCCCC(=O)O

Chemical Information

8-Methoxy-8-oxooctanoic acid

CAS Number	3946-32-5
PubChem CID	554191
IUPAC Name	8-methoxy-8-oxooctanoic acid
Molecular Formula	C9H16O4
Molecular Weight	188.22
XLogP	1.8
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	165

SMILES

COC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C9H16O4/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3,(H,10,11)

InChIKey

KOVPXZDUVJGGFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3946-32-5

CID: 554191

Formula: C9H16O4

MW: 188.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.22
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	188.10485899
Monoisotopic Mass	188.10485899
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	165
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
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OR1042399-01	Cis-Cyclobutane-1,2-dicarboxylic acid monomethyl ester
OR924889-01	5-Norbornene-2,3-dicarboxylic acid monomethyl ester
OR322209-01	Glutaric acid monoethyl ester
OR1013707-01	Maleic Acid Monoethyl Ester
OR0429	Dipropylmalonic acid monoethyl ester

Catalog	Name
AR-S10868-01	Suberic Acid Monomethyl Ester
289565-01	Suberic acid dimethyl ester
242081-01	Suberic acid dimethyl ester 99+%
FS172230-01	Suberic acid di-n-butyl ester
sc-253611A	Suberic acid bis (N-hydroxysuccinimide ester)
sc-358556A	Succinic Acid Monomethyl Ester
TRC-F500390-50MG	Fumaric Acid Monomethyl Ester
sc-295371	Maleic acid monomethyl ester
90026433	Adipic acid monomethyl ester
AR-A03114-01	Azelaic Acid Monomethyl Ester