Gliquidone Impurity 4

CAT: 1299-RM-G121704-04Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-G121704-04Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

60786-20-1

Synonyms

3-chloro-3-methylbutanoic acid

Molecular Formula

C5H9ClO2

Molecular Weight

136.58

Target Alternative Name

Gliquidone

Product Name Synonym

3-chloro-3-methylbutanoic acid

Chemical Information

3-Chloro-3-methylbutanoic acid

CAS Number	60786-20-1
PubChem CID	20283480
IUPAC Name	3-chloro-3-methylbutanoic acid
Molecular Formula	C5H9ClO2
Molecular Weight	136.58
XLogP	0.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	98

SMILES

CC(C)(CC(=O)O)Cl

InChI

InChI=1S/C5H9ClO2/c1-5(2,6)3-4(7)8/h3H2,1-2H3,(H,7,8)

InChIKey

ALNZQZSGWGRUBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60786-20-1

CID: 20283480

Formula: C5H9ClO2

MW: 136.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.58
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	136.0291072
Monoisotopic Mass	136.0291072
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	98.6
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