Malonic Acid-2-13C

CAT: 0572-TRC-M158008-25MGSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M158008-25MGSize:25 mg

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CAS Number

55514-11-9

Synonyms

Propanedioic Acid-2-13C; 1,3-Propanedioic Acid-2-13C; Carboxyacetic Acid-2-13C; Dicarboxymethane-2-13C; Methanedicarboxylic Acid-2-13C; NSC 8124-2-13C; Malonic-2-13C Acid; [2-13C]Malonic Acid

Hazard Statement

Harmful if swallowed

Purity

>95% (HPLC)

Smiles

OC([13C]([H])([H])C(O)=O)=O

Molecular Formula

C213CH4O4

Molecular Weight

105.05

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Malonic acid-2-13C

CAS Number	55514-11-9
PubChem CID	11332425
IUPAC Name	(213C)propanedioic acid
Molecular Formula	C3H4O4
Molecular Weight	105.05
XLogP	-0.8
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	83

SMILES

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

InChI

InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/i1+1

InChIKey

OFOBLEOULBTSOW-OUBTZVSYSA-N

Chemical Structure

2D Structure

CAS: 55514-11-9

CID: 11332425

Formula: C3H4O4

MW: 105.05

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	105.05
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	105.01431344
Monoisotopic Mass	105.01431344
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	83.1
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

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Catalog	Name
454162-01	Malonic Acid-2-13C
B7900-500	Malonic acid

Malonic Acid-2-13C

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