2-(Hydroxymethyl)benzoic Acid - CAS 612-20-4
Catalog: |
BB031007 |
Product Name: |
2-(Hydroxymethyl)benzoic Acid |
CAS: |
612-20-4 |
Synonyms: |
2-(hydroxymethyl)benzoic acid; 2-(hydroxymethyl)benzoic acid |
IUPAC Name: | 2-(hydroxymethyl)benzoic acid |
Description: | 2-(Hydroxymethyl)benzoic Acid (CAS# 612-20-4) is a useful research chemical. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H8O3 |
Canonical SMILES: | C1=CC=C(C(=C1)CO)C(=O)O |
InChI: | InChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11) |
InChI Key: | MGMNPSAERQZUIM-UHFFFAOYSA-N |
Boiling Point: | 333.9 °C at 760 mmHg |
Melting Point: | 127 - 128 °C |
Density: | 1.314 g/cm3 |
Solubility: | 4.28 mg/mL at 20 °C |
Appearance: | White to off-white powder |
MDL: | MFCD02151998 |
LogP: | 0.87710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021095398-A1 | Organic ammonium salt and hydrogen bond material treating agent using same | 20191114 |
WO-2020201450-A1 | Peptide synthesis and modification | 20190403 |
WO-2020166678-A1 | Cosmetic ingredient, cosmetic, and production method for cosmetic | 20190213 |
WO-2020160215-A1 | Method for purification of a bisphenol a dianhydride composition, bisphenol a dianhydride composition, poly(etherimide) derived from the bisphenol a dianhydride composition, and articles prepared therefrom | 20190131 |
WO-2020112906-A1 | Peptide ligands for capture of host cell proteiins | 20181126 |
PMID | Publication Date | Title | Journal |
19399250 | 20090301 | In vitro models in biocompatibility assessment for biomedical-grade chitosan derivatives in wound management | International journal of molecular sciences |
16403417 | 20060701 | Breakdown products on metabolic pathway of degradation of benz[a]anthracene by a ligninolytic fungus | Chemosphere |
15115391 | 20040506 | Synthesis of 2,4-diamino-6-[2'-O-(omega-carboxyalkyl)oxydibenz[b,f]azepin-5-yl]methylpteridines as potent and selective inhibitors of Pneumocystis carinii, Toxoplasma gondii, and Mycobacterium avium dihydrofolate reductase | Journal of medicinal chemistry |
11525654 | 20010905 | 2-(Hydroxycarbonyl)benzyl glycosides: a novel type of glycosyl donors for highly efficient beta-mannopyranosylation and oligosaccharide synthesis by latent-active glycosylation | Journal of the American Chemical Society |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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