Malonic acid dibutyl ester

CAT: 0127-OR80234-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR80234-01Size:5 g

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CAS Number

1190-39-2

MDL Number

MFCD00053795

Purity

98%

Smiles

CCCCOC(=O)CC(=O)OCCCC

Chemical Information

Propanedioic acid, dibutyl ester

CAS Number	1190-39-2
PubChem CID	136925
IUPAC Name	dibutyl propanedioate
Molecular Formula	C11H20O4
Molecular Weight	216.27
XLogP	2.7
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	15
Formal Charge	0
Complexity	169

SMILES

CCCCOC(=O)CC(=O)OCCCC

InChI

InChI=1S/C11H20O4/c1-3-5-7-14-10(12)9-11(13)15-8-6-4-2/h3-9H2,1-2H3

InChIKey

NFKGQHYUYGYHIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1190-39-2

CID: 136925

Formula: C11H20O4

MW: 216.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.27
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	216.13615911
Monoisotopic Mass	216.13615911
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	169
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
OR1013710-01	Malonic Acid Diphenyl Ester
OR1013711-01	Malonic Acid Diphenyl Ester
OR314066-01	Vinylboronic acid dibutyl ester
OR1010430-01	2-Ethoxy-Malonic Acid Diethyl Ester
OR1003324-01	Ethanedioic acid, 1,2-dibutyl ester
OR0786-01	Malonic acid
OR1006722-01	2-Ethyl-2-propyl-malonic acid diethyl ester
OR1004737-01	2- (2-Nitro-benzylidene) -malonic acid diethyl ester
OR1004941-01	2-Benzyl-2- (2-dimethylamino-ethyl) -malonic acid diethyl ester
OR1061078-01	2- (4-Chlorobenzyl) malonic acid

Catalog	Name
sc-258328	Vinylboronic acid dibutyl ester
010818	Dipropyl-malonic Acid Diethyl Ester
sc-299580	4-Vinylphenylboronic acid dibutyl ester
MBS6023753-01	Oxalic Acid-13C2 Dibutyl Ester
461877-01	(p-Nitrobenzylidene) malonic Acid Diethyl Ester
283234-01	Malonic acid mono-tert-butyl ester
TRC-N493690-1G	(p-Nitrobenzylidene)malonic Acid Diethyl Ester
417510-01	2-Ethoxy-malonic acid diethyl ester
447380	Dipropyl-malonic Acid-d6 Diethyl Ester
sc-265640	2-Chloromethylene-malonic acid diethyl ester