CAS 68858-21-9|2-[4-(hydroxymethyl)phenoxy]acetic acid|[4-(Hydroxymethyl)phenoxy]acetic acid|4-(hydroxymethyl)phenoxyacetic acid|4-(Hydroxymethyl)phenoxyacetic acid|HMPA|4-(HYDROXYMETHYL)-PHENOXYACE...

General Information

Structure

Molecular Formula

C₉H₁₀O₄

Molecular Mass

182.1733

Exact Mass

182.0579088

Charge

InChI

InChI=1S/C9H10O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)

InChIKey

VUCNQOPCYRJCGQ-UHFFFAOYSA-N

Canonic Smiles

OCc1ccc(cc1)OCC(=O)O

Isomeric Smiles

C(=O)(COc1ccc(cc1)CO)O

Calculated Properties

JChem

Acid pKa

3.5543716

H Acceptors

H Donor

LogD (pH = 5.5)

-1.4131372

LogD (pH = 7.4)

-2.8322155

Log P

0.5262081

Molar Refractivity

45.4217

Polarizability

17.710165

Polar Surface Area

66.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

[4-(Hydroxymethyl)phenoxy]acetic acid4-(Hydroxymethyl)phenoxyacetic acid4-(HYDROXYMETHYL)-PHENOXYACETIC ACIDHMPA4-(Hydroxymethyl)phenoxyacetic acid4-(羟基甲基)苯氧基乙酸

IUPAC Traditional name

4-(hydroxymethyl)phenoxyacetic acid

IUPAC name

2-[4-(hydroxymethyl)phenoxy]acetic acid

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

PubChem SID

2489550516203534324879660

PubChem CID

194291

Registration numbers

Properties

Physical Property

Melting Point

112-114°C

112-114 °C

110-113°C

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02157469

Standard TFA-labile linker for the preparation of peptide acids by Fmoc SPPS.

Sigma Aldrich

55730

Other Notes
Linkage agent used in solid-phase peptide synthesis according to the "FMOC-polyamide" technique1,2,3
Packaging
5 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Linker used in solid-phase peptide synthesis: J. Chem. Soc., Chem. Commun., 537, 539 (1978); Int. J. Pept. Prot. Res., 26, 92 (1985). For peptide reagents, see Appendix 6.

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

[4-(Hydroxymethyl)phenoxy]acetic acid4-(Hydroxymethyl)phenoxyacetic acid4-(HYDROXYMETHYL)-PHENOXYACETIC ACIDHMPA4-(Hydroxymethyl)phenoxyacetic acid4-(羟基甲基)苯氧基乙酸

IUPAC Traditional name

4-(hydroxymethyl)phenoxyacetic acid

IUPAC name

2-[4-(hydroxymethyl)phenoxy]acetic acid

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

PubChem SID

2489550516203534324879660

PubChem CID

194291

Properties

Physical Property

Melting Point

112-114°C

112-114 °C

110-113°C

Molecule Details

MP Biomedicals

02157469

Standard TFA-labile linker for the preparation of peptide acids by Fmoc SPPS.

Sigma Aldrich

55730

Other Notes
Linkage agent used in solid-phase peptide synthesis according to the "FMOC-polyamide" technique1,2,3
Packaging
5 g in glass bottle

References

PubChem Literature

From Data Sources

• Linker used in solid-phase peptide synthesis: J. Chem. Soc., Chem. Commun., 537, 539 (1978); Int. J. Pept. Prot. Res., 26, 92 (1985). For peptide reagents, see Appendix 6.

Bioactivity

PubChem BioAssay

Molecule

ID:69617