3-Chloropropionic acid

CAT: 0926-FC34154-01Size: 500 gDry Ice: NoHazardous: No

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CAT#:0926-FC34154-01Size:500 g

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CAS Number

107-94-8

MDL Number

MFCD00002764

Smiles

C (CCl) C (=O) O

Molecular Formula

C3H5ClO2

Molecular Weight

108.52 g/mol

Controlled

Chemical Information

3-Chloropropionic acid

3-chloropropionic acid appears as a white crystalline solid with a sharp odor. Denser than water. (USCG, 1999)

CAS Number	107-94-8
PubChem CID	7899
IUPAC Name	3-chloropropanoic acid
Molecular Formula	C3H5ClO2
Molecular Weight	108.52
XLogP	0.4
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(CCl)C(=O)O

InChI

InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

InChIKey

QEYMMOKECZBKAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-94-8

CID: 7899

Formula: C3H5ClO2

MW: 108.52

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.52
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	107.9978071
Monoisotopic Mass	107.9978071
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
FC170943-01	3-Chloropropionic anhydride
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

Catalog	Name
TRC-C588030-1G	3-Chloropropionic Acid
603007	3‐CHLOROPROPIONIC ACID
C18580-01	3-Chloropropionic acid 95%
MBS6094731-01	(S)-(-)-2-Chloropropionic Acid (L-(a)-chloropropionic acid)
C5029-55	(R) - (+) -2-Chloropropionic Acid (D- (a) -Chloropropionic Acid)
MBS6058227-01	(R)-(+)-2-Chloropropionic Acid (D-(a)-Chloropropionic Acid)
C5029-56	S- (-) -2-Chloropropionic Acid (L- (a) -chloropropionic acid)
OR922263-01	3-Chloropropionic acid phenyl ester
OR1079266-01	2-Chloropropionic Acid
4010408.0005	R(+)-2-Chloropropionic acid