Ethyl 3-chloro-2-hydroxypropanoate

CAT: 0127-OR1037432-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1037432-01Size:100 mg

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CAS Number

40149-32-4

MDL Number

MFCD00460831

Purity

98%

Smiles

CCOC(=O)C(CCl)O

Chemical Information

Ethyl 3-chloro-2-hydroxypropanoate

CAS Number	40149-32-4
PubChem CID	12870054
IUPAC Name	ethyl 3-chloro-2-hydroxypropanoate
Molecular Formula	C5H9ClO3
Molecular Weight	152.57
XLogP	0.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

CCOC(=O)C(CCl)O

InChI

InChI=1S/C5H9ClO3/c1-2-9-5(8)4(7)3-6/h4,7H,2-3H2,1H3

InChIKey

AYXGLGKNUAYZPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40149-32-4

CID: 12870054

Formula: C5H9ClO3

MW: 152.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.57
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	152.0240218
Monoisotopic Mass	152.0240218
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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