5-(3-Hydroxyphenyl)nicotinic acid - CAS 1181452-05-0
Catalog: |
BB060894 |
Product Name: |
5-(3-Hydroxyphenyl)nicotinic acid |
CAS: |
1181452-05-0 |
Synonyms: |
5-(3-HYDROXYPHENYL)NICOTINIC ACID; 5-(3-hydroxyphenyl)pyridine-3-carboxylic acid; 5-(3-Hydroxyphenyl)-nicotinic acid; 5-(3-Hydroxyphenyl)nicotinicacid |
IUPAC Name: | 5-(3-hydroxyphenyl)pyridine-3-carboxylic acid |
Description: | 5-(3-Hydroxyphenyl)nicotinic acid |
Molecular Weight: | 215.21 |
Molecular Formula: | C12H9NO3 |
Canonical SMILES: | C1=CC(=CC(=C1)O)C2=CC(=CN=C2)C(=O)O |
InChI: | InChI=1S/C12H9NO3/c14-11-3-1-2-8(5-11)9-4-10(12(15)16)7-13-6-9/h1-7,14H,(H,15,16) |
InChI Key: | ZFOZRXCJNXHMSX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2013234499-A1 | Conformationally constrained, fully synthetic macrocyclic compounds | 20120317 |
AU-2013234499-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | 20120317 |
CA-2867494-A1 | Conformationally constrained, fully synthetic macrocyclic compounds | 20120317 |
CA-2867494-C | Conformationally constrained, fully synthetic macrocyclic compounds | 20120317 |
CN-104284891-A | Conformationally constrained, fully synthetic macrocyclic compounds | 20120317 |
DK-2836485-T3 | CONFORMITY LIMITED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | 20120317 |
EP-2836485-A1 | Conformationally constrained, fully synthetic macrocyclic compounds | 20120317 |
EP-2836485-B1 | Conformationally constrained, fully synthetic macrocyclic compounds | 20120317 |
IL-234595-A | Fully synthetic macrocyclic compounds are configuration restricted | 20120317 |
JP-2015509970-A | Conformationally constrained fully synthesized macrocyclic compounds | 20120317 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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