Malonic acid-2-13C

CAT: 0024-sc-235560Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-235560Size:1 g

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CAS Number

55514-11-9

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

Loading 3D structure...

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

Catalog	Name
sc-228440	Malonic acid-13C3
sc-283159	2-Hexadecyl-malonic acid
sc-235561	Malonic acid-d4
sc-335316	2,2-bis (Hydroxymethyl) malonic acid
sc-279295	Malonic acid dihydrazide
sc-228439	Malonic acid-1,3-13C2
sc-265640	2-Chloromethylene-malonic acid diethyl ester
sc-476369	Pyruvic Acid-2-13C
sc-257187	Bromoacetic acid-2-13C
sc-479825	2- (2-Aminobut-3-enyl) malonic Acid

Catalog	Name
TRC-M158008-50MG	Malonic Acid-2-13C
B7900-500	Malonic acid