Ethyl hydrogen sebacate

CAT: 0024-sc-269168Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-269168Size:5 g

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CAS Number

693-55-0

Chemical Information

Decanedioic acid, 1-ethyl ester

CAS Number	693-55-0
PubChem CID	69660
IUPAC Name	10-ethoxy-10-oxodecanoic acid
Molecular Formula	C12H22O4
Molecular Weight	230.30
XLogP	2.8
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	16
Formal Charge	0
Complexity	201

SMILES

CCOC(=O)CCCCCCCCC(=O)O

InChI

InChI=1S/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)

InChIKey

DLZCDMPHHUODDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 693-55-0

CID: 69660

Formula: C12H22O4

MW: 230.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.30
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	230.15180918
Monoisotopic Mass	230.15180918
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	201
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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RG-E141413-01	Ethyl hydrogen sulfite
RG-E082506-01	Ethyl Hydrogen Carbonate
OR1013240-01	Ethyl Hydrogen Pimelate
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