| CAS Number | 912773-03-6 |
| Catalog Number | AG00GREM(AGN-PC-0WCB0T) |
| Chemical Name | 3-Pyridinecarboxylic acid, 2-(3-methoxyphenyl)- |
| IUPAC Name | 2-(3-methoxyphenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H11NO3/c1-17-10-5-2-4-9(8-10)12-11(13(15)16)6-3-7-14-12/h2-8H,1H3,(H,15,16) |
| InChI Key | ZRYTWHAZDNPNRQ-UHFFFAOYSA-N |
| MDL Number | MFCD08235174 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | C(=O)(O)c1c(nccc1)c1cc(OC)ccc1 |
| Synonyms | 2-(3-Methoxyphenyl)nicotinic acid,
912773-03-6,
2-(3-methoxyphenyl)pyridine-3-carboxylic acid,
CTK5G9261,
KS-00003TSK,
DTXSID10650313,
ZX-AT018694,
2954AF,
MFCD08235174,
OR3733,
SBB053035,
ZINC16123662,
AKOS022309079,
TS-03576,
RT-007048,
CS-0061985,
2-(3-Methoxyphenyl)pyridin-3ylcarboxylic acid,
C13H11NO3,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number