3-Iodopropionic acid

CAT: 0926-FI173004-03Size: 500 gDry Ice: NoHazardous: No

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CAT#:0926-FI173004-03Size:500 g

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CAS Number

141-76-4

Smiles

C (CI) C (=O) O

Molecular Formula

C3H5IO2

Molecular Weight

199.98 g/mol

Controlled

Chemical Information

Propanoic acid, 3-iodo-

3-Iodopropanoic acid is a member of piperidines.

CAS Number	141-76-4
PubChem CID	8856
IUPAC Name	3-iodopropanoic acid
Molecular Formula	C3H5IO2
Molecular Weight	199.97
XLogP	1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	52

SMILES

C(CI)C(=O)O

InChI

InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

InChIKey

KMRNTNDWADEIIX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 141-76-4

CID: 8856

Formula: C3H5IO2

MW: 199.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.97
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	199.93343
Monoisotopic Mass	199.93343
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	52.8
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

Catalog	Name
FAA96183-01	3,3-oxydipropanoic acid
DAA17774-01	3,3-Dimethylpentanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
FD79195-01	3,3-Difluoropentanedioic Acid
FD33667-01	3,3-Diphenylpropionic acid
IWC69923-01	3,3-Difluoropentanoic acid
RLC35226-01	3,3-Dicyclobutylpropanoic acid
KAC89705	3,3-difluorocyclopentanecarboxylic acid
FD33699-01	3,3-Dimethylglutaric acid
ZIB66920-01	3,3-Difluorocyclohexanecarboxylic Acid

Catalog	Name
HY-W142520-01	3-Iodopropionic acid
HY-Z0424-01	(S) -2-[ (tert-Butoxycarbonyl) amino]-3-iodopropionic acid methyl ester
MBS3847415-01	(S)-2-[(tert-Butoxycarbonyl)amino]-3-iodopropionic acid methyl ester
A22835-100000	(S) -2-[ (tert-Butoxycarbonyl) amino]-3-iodopropionic acid methyl ester 100g
A22835-25000	(S) -2-[ (tert-Butoxycarbonyl) amino]-3-iodopropionic acid methyl ester 25g
A22835-10000	(S) -2-[ (tert-Butoxycarbonyl) amino]-3-iodopropionic acid methyl ester 10000mg
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
C7173-500	3,3-Dimethylglutaric acid
TRC-D445368-10MG	3,3-Difluorocyclopentanecarboxylic Acid
TRC-D491725-25G	3,3-Diphenylpropionic Acid