| CAS Number | 893738-16-4 |
| Catalog Number | AG00GTF4(AGN-PC-0WAASV) |
| Chemical Name | 5-(4-(tert-Butyl)phenyl)nicotinic acid |
| IUPAC Name | 5-(4-tert-butylphenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C16H17NO2/c1-16(2,3)14-6-4-11(5-7-14)12-8-13(15(18)19)10-17-9-12/h4-10H,1-3H3,(H,18,19) |
| InChI Key | AHWIXPRHCJGVLC-UHFFFAOYSA-N |
| MDL Number | MFCD06802650 |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.3117 |
| SMILES | C1(=CC(=CN=C1)C1C=CC(=CC=1)C(C)(C)C)C(O)=O |
| Synonyms | 893738-16-4,
5-(4-(tert-Butyl)phenyl)nicotinic acid,
5-(4-t-Butylphenyl)nicotinic acid,
5-(4-Tert-butylphenyl)nicotinic acid,
5-(4-TERT-BUTYLPHENYL)PYRIDINE-3-CARBOXYLIC ACID,
ACMC-209r0r,
CTK7J0608,
DTXSID00588090,
ANW-39289,
MFCD06802650,
ZINC16947804,
AKOS000125046,
AJ-69761,
TC-128034,
BB 0223798,
ST24023747,
V8806,
B-4673,
I02-3303,
C16H17NO2,
5-(4-(tert-Butyl)phenyl)nicotinicacid,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.317g/mol |
| Monoisotopic Mass | 255.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number