4-(4-Methylphenoxy)benzoic acid - CAS 21120-65-0
Catalog: |
BB016617 |
Product Name: |
4-(4-Methylphenoxy)benzoic acid |
CAS: |
21120-65-0 |
Synonyms: |
4-(4-methylphenoxy)benzoic acid |
IUPAC Name: | 4-(4-methylphenoxy)benzoic acid |
Description: | 4-(4-Methylphenoxy)benzoic acid (CAS# 21120-65-0) is a useful research chemical. |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C14H12O3/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H,15,16) |
InChI Key: | DCDYPMNXCDXNJZ-UHFFFAOYSA-N |
Boiling Point: | 375.3 °C at 760 mmHg |
Density: | 1.208 g/cm3 |
MDL: | MFCD01631893 |
LogP: | 3.48550 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102128261-B1 | Preparation of water-soluble acryl-modified phenol-modified epoxy resin, water-soluble acryl-modified phenol-modified epoxy resin preparedthereby, and aqueous paint composition comprising the same | 20191015 |
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WO-2019161010-A1 | Inhibitors of trpc6 | 20180216 |
CN-111868055-A | Inhibitors of TRPC6 | 20180216 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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