Diethyl Malonate-2-13C

CAT: 0572-TRC-D444421-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D444421-10MGSize:10 mg

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CAS Number

67035-94-3

Synonyms

Diethyl Ester Propanedioic-2-13C Acid; Propanedioic Acid 1,3-Diethyl Ester-13C; Malonic Acid Diethyl Ester-13C; Propanedioic Acid Diethyl Ester-13C; Carbethoxyacetic Ester; Dicarbethoxymethane-13C; Diethyl Propane-1,3-dioate-13C; Diethyl Propanedioate-13C;Propanedioic-1,3-13C2 Acid Diethyl Ester

Hazard Statement

Causes serious eye irritation

Purity

>95% (GC)

Smiles

O=C(OCC)[13CH2]C(OCC)=O

Molecular Formula

C613CH12O4

Molecular Weight

161.16

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Diethyl malonate-2-13C

CAS Number	67035-94-3
PubChem CID	12197542
IUPAC Name	diethyl (213C)propanedioate
Molecular Formula	C7H12O4
Molecular Weight	161.16
XLogP	1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	125

SMILES

CCOC(=O)[13CH2]C(=O)OCC

InChI

InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3/i5+1

InChIKey

IYXGSMUGOJNHAZ-HOSYLAQJSA-N

Chemical Structure

2D Structure

CAS: 67035-94-3

CID: 12197542

Formula: C7H12O4

MW: 161.16

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	161.16
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	161.07691370
Monoisotopic Mass	161.07691370
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	125
Isotope Atom Count	1
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

Related Products

Catalog	Name
TRC-D444423-100MG	Diethyl Malonate-13C2
TRC-D444423-10MG	Diethyl Malonate-13C2
TRC-D444422-25MG	Diethyl Malonate-13C3
TRC-D444422-250MG	Diethyl Malonate-13C3
TRC-D444420-10G	Diethyl Malonate
TRC-D244440-100MG	Diethyl-2-(nitrosoamino)malonate
TRC-D244102-250MG	Diethyl 2-(3-Methylbutylidene)malonate-13C3
TRC-D444424-5G	Diethyl Malonate-d2
TRC-B802500-2.5G	Butyronitrile Diethyl Malonate
TRC-B802500-1G	Butyronitrile Diethyl Malonate

Alternative Products

Catalog	Name
sc-257340	Diethyl malonate-2-13C
604004	DIETHYL MALONATE
OR30384	Diethyl 2- (dimethylamino) malonate
OR300758-01	Diethyl 2- (phenylamino) malonate
OR73263-01	Diethyl 2- (aminomethylene) malonate
FD142966-01	Diethyl 2- (chloromethylene) malonate
sc-353212	Diethyl (2-nitrophenyl) malonate
sc-268885	Diethyl (2-pentyl) malonate

Diethyl Malonate-2-13C

Chemical Information

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