| CAS Number | 214554-16-2 |
| Catalog Number | AG00I45F(AGN-PC-0WD33C) |
| Chemical Name | 3-fluoro-4-(hydroxymethyl)benzoic acid |
| IUPAC Name | 3-fluoro-4-(hydroxymethyl)benzoic acid |
| InChI | InChI=1S/C8H7FO3/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3,10H,4H2,(H,11,12) |
| InChI Key | HPVLUHTXWWJJHM-UHFFFAOYSA-N |
| MDL Number | MFCD15202208 |
| Molecular Formula | C8H7FO3 |
| Molecular Weight | 170.1378 |
| SMILES | C1=C(C=C(C(=C1)CO)F)C(=O)O |
| Synonyms | 3-fluoro-4-(hydroxymethyl)benzoic Acid,
214554-16-2,
SCHEMBL7513592,
KS-00001AAE,
DTXSID70435961,
MFCD15202208,
ZINC34278632,
AKOS012374229,
NE28901,
AJ-87779,
CS-0037901,
Z2510258170,
CID10130161,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.139g/mol |
| Monoisotopic Mass | 170.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number