Diethyl 2-acetylsuccinate

CAT: 0127-OR25059-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR25059-01Size:5 g

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CAS Number

1115-30-6

MDL Number

MFCD00009157

Purity

98%

Smiles

CCOC(=O)CC(C(=O)C)C(=O)OCC

Chemical Information

Butanedioic acid, 2-acetyl-, 1,4-diethyl ester

CAS Number	1115-30-6
PubChem CID	66197
IUPAC Name	diethyl 2-acetylbutanedioate
Molecular Formula	C10H16O5
Molecular Weight	216.23
XLogP	0.6
Topological Polar Surface Area	69.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	15
Formal Charge	0
Complexity	246

SMILES

CCOC(=O)CC(C(=O)C)C(=O)OCC

InChI

InChI=1S/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3

InChIKey

DVSDDICSXBCMQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1115-30-6

CID: 66197

Formula: C10H16O5

MW: 216.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.23
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	216.09977361
Monoisotopic Mass	216.09977361
Topological Polar Surface Area	69.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1012934-01	Dimethyl Acetylsuccinate
OR1071885-01	Diethyl 2-oxopentanedioate
OR1038108-01	Diethyl 2-isobutyrylmalonate
OR10853-01	Diethyl 2-hydroxymalonate
OR6568-01	Diethyl 2-oxomalonate
OR73578	Diethyl 2-cyclopropylmalonate
OR79295-01	Diethyl 2-isopropylmalonate
OR1022038-01	Diethyl 2-phthalimidomalonate
OR30217	Diethyl 2-propionylsuccinate
OR9987-01	Diethyl 2-bromomalonate

Catalog	Name
446784-01	Diethyl 2-Acetylsuccinate
JH611963	Diethyl acetylsuccinate
D19620-01	Diethyl acetylsuccinate 97%
SBA39268-01	Diethyl 2-cyclopropylpropanedioate
FAA32430	Diethyl 2-Bromoethylphosphonate
272142-01	Diethyl 2-aminomalonate
446783-01	Diethyl 2-Acetylmalonate
sc-326798	Diethyl 2-aminoterephthalate
TRC-D443130-100G	Diethyl 2-Acetamidomalonate
AR-P31447-01	Diethyl 2-Bromobenzylphosphonate