3-Oxohexanedioic Acid Diethyl Ester

CAT: 0024-sc-478826Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-478826Size:1 g

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CAS Number

7149-59-9

Chemical Information

Diethyl 3-oxoadipate

CAS Number	7149-59-9
PubChem CID	81576
IUPAC Name	diethyl 3-oxohexanedioate
Molecular Formula	C10H16O5
Molecular Weight	216.23
XLogP	0.5
Topological Polar Surface Area	69.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	15
Formal Charge	0
Complexity	234

SMILES

CCOC(=O)CCC(=O)CC(=O)OCC

InChI

InChI=1S/C10H16O5/c1-3-14-9(12)6-5-8(11)7-10(13)15-4-2/h3-7H2,1-2H3

InChIKey

ONRIYMIXCUUSNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7149-59-9

CID: 81576

Formula: C10H16O5

MW: 216.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.23
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	216.09977361
Monoisotopic Mass	216.09977361
Topological Polar Surface Area	69.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	234
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-504396	3-Butenylethylmalonic Acid Diethyl Ester
sc-478693A	Phosphoric Acid Diethyl Ester
sc-478693B	Phosphoric Acid Diethyl Ester
sc-478693	Phosphoric Acid Diethyl Ester
sc-358029	Acetoxymalonic Acid Diethyl Ester
sc-391361	Isopropyl-tartronic Acid Diethyl Ester
sc-504673	(Carboxymethyl) oxamic Acid Diethyl Ester
sc-209252	2-Propenylpropylpropanedioic Acid Diethyl Ester
sc-477449	Phosphoric Acid Diethyl Octyl Ester
sc-480731	Acetonyl-succinic Acid Diethyl Ester

Catalog	Name
TRC-O856830-1G	3-Oxohexanedioic Acid Diethyl Ester
160492	3-Butenylethylmalonic Acid Diethyl Ester
TRC-M332800-1G	3-Methylphosphinicopropionic Acid Diethyl Ester
TRC-A790170-10G	Aspartic Acid Diethyl Ester
HY-130506	Glutamic acid diethyl ester
462516-01	Phosphoric Acid Diethyl Ester
163801	Diethyl Ester Carbonic Acid
MBS5772899	Decanedioic acid, diethyl ester
AR-C06045-01	Diimidotricarbonic Acid Diethyl Ester
S6012-01	Methyloxalacetic acid diethyl ester