Citric Acid 1,2-Diethyl Ester

CAT: 1596-AR-C07802-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C07802-01Size:10 Units

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CAS Number

19958-02-2

Synonyms

5-Ethoxy-3- (ethoxycarbonyl) -3-hydroxy-5-oxopentanoic acid

Molecular Formula

C10H16O7

Molecular Weight

248.23

API Name

Citric acid

Chemical Information

Diethyl Citrate

an anticoagulant with hypocalcemic activity; structure in first source

CAS Number	19958-02-2
PubChem CID	15384083
IUPAC Name	5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid
Molecular Formula	C10H16O7
Molecular Weight	248.23
XLogP	-0.6
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	17
Formal Charge	0
Complexity	299

SMILES

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

InChI

InChI=1S/C10H16O7/c1-3-16-8(13)6-10(15,5-7(11)12)9(14)17-4-2/h15H,3-6H2,1-2H3,(H,11,12)

InChIKey

KGYXYKHTHJPEBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19958-02-2

CID: 15384083

Formula: C10H16O7

MW: 248.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.23
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	248.08960285
Monoisotopic Mass	248.08960285
Topological Polar Surface Area	110 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	299
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
AR-C07804-01	Citric Acid beta-Ethyl Ester
AR-C06045-01	Diimidotricarbonic Acid Diethyl Ester
AR-T04672-01	Tetracosanedioic Acid Diethyl Ester
AR-C04110-01	Citric Acid
AR-C07777-01	Citric Acid Impurity 2 (1:1 Mixture)
AR-M02871-01	2- (1-Isocyanato-3-methyl-butyl) -malonic acid diethyl ester
AR-M02870-01	2- (1-Isocyanato-3-methyl-butylidene) -malonic acid diethyl ester
AR-B05575-01	Bempedoic Acid Keto Diethyl Ester Impurity
AR-G02468-01	L-Glutamic Acid Diethyl Ester Hydrochloride
AR-M03618-01	Citric Acid-2,4-13C2

Catalog	Name
TRC-C521020-250MG	Citric Acid 1,2-Diethyl Ester
PBA41305	Citric acid isopropyl ester
410780-01	1,2-Ethanedisulfonic Acid Diethyl Ester
sc-209252	2-Propenylpropylpropanedioic Acid Diethyl Ester
TRC-C521005-25MG	Citric Acid tert-Butyl Ester
OR1009538-01	1-Methylbutylmalonic Acid Diethyl Ester
279617-01	1,2-Hydrazinedicarboxylic acid diethyl ester discontinued
HAA68678	2-Vinylcyclopropane-1,1-dicarboxylic acid diethyl ester
HY-130506	Glutamic acid diethyl ester
462516-01	Phosphoric Acid Diethyl Ester