Difluoromalonic acid

CAT: 0127-PC450266-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC450266-01Size:1 g

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CAS Number

1514-85-8

MDL Number

MFCD11110404

Purity

95%

Smiles

OC(=O)C(F)(F)C(=O)O

Chemical Information

Difluoropropanedioic acid

CAS Number	1514-85-8
PubChem CID	10130002
IUPAC Name	2,2-difluoropropanedioic acid
Molecular Formula	C3H2F2O4
Molecular Weight	140.04
XLogP	0.2
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	136

SMILES

C(=O)(C(C(=O)O)(F)F)O

InChI

InChI=1S/C3H2F2O4/c4-3(5,1(6)7)2(8)9/h(H,6,7)(H,8,9)

InChIKey

LIHVFFFGWFBSAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1514-85-8

CID: 10130002

Formula: C3H2F2O4

MW: 140.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.04
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	139.99211486
Monoisotopic Mass	139.99211486
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	136
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

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