2-n-Propoxybenzoic Acid - CAS 2100-31-4
Catalog: |
BB016528 |
Product Name: |
2-n-Propoxybenzoic Acid |
CAS: |
2100-31-4 |
Synonyms: |
2-propoxybenzoic acid; 2-propoxybenzoic acid |
IUPAC Name: | 2-propoxybenzoic acid |
Description: | 2-n-Propoxybenzoic Acid (CAS# 2100-31-4) is a salicylic acid derivative used in the preparation of inhibitors of tyrosinase or hyaluronidase. 2-Propoxybenzoic Acid is a very potent inhibitior of collagen-induced aggregation of human platelets. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CCCOC1=CC=CC=C1C(=O)O |
InChI: | InChI=1S/C10H12O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
InChI Key: | OXOWWPXTTOCKKU-UHFFFAOYSA-N |
Boiling Point: | 306.3 °C at 760 mmHg |
Density: | 1.133 g/cm3 |
Appearance: | White to beige crystals or crystalline powder |
MDL: | MFCD01075687 |
LogP: | 2.17360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
14770236 | 20040221 | NMR relaxometric study of new Gd(III) macrocyclic complexes and their interaction with human serum albumin | Organic & biomolecular chemistry |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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