M-PEG2-acid

CAT: 0926-ZFA57705-02Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-ZFA57705-02Size:10 g

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CAS Number

149577-05-9

MDL Number

MFCD09939037

Smiles

COCCOCCC (=O) O

Molecular Formula

C6H12O4

Molecular Weight

148.16 g/mol

Controlled

Chemical Information

3-(2-Methoxyethoxy)propanoic acid

3-(2-methoxyethoxy)propanoic acid is a monocarboxylic acid that is propanoic acid substituted at C-3 by a 2-methoxyethoxy group. It has a role as a metabolite. It is a monocarboxylic acid and an ether.

CAS Number	149577-05-9
PubChem CID	16718874
IUPAC Name	3-(2-methoxyethoxy)propanoic acid
Molecular Formula	C6H12O4
Molecular Weight	148.16
XLogP	-0.6
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	91

SMILES

COCCOCCC(=O)O

InChI

InChI=1S/C6H12O4/c1-9-4-5-10-3-2-6(7)8/h2-5H2,1H3,(H,7,8)

InChIKey

KWMXBFIAGYXCCC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149577-05-9

CID: 16718874

Formula: C6H12O4

MW: 148.16

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	-0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	148.07355886
Monoisotopic Mass	148.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	91.7
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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M-PEG2-acid

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