| CAS Number | 944899-27-8 |
| Catalog Number | AG00II8H(AGN-PC-0WNRJH) |
| Chemical Name | 6-fluorochroman-3-carboxylic acid |
| IUPAC Name | 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid |
| InChI | InChI=1S/C10H9FO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-2,4,7H,3,5H2,(H,12,13) |
| InChI Key | POJZDZQAEYSLOK-UHFFFAOYSA-N |
| MDL Number | MFCD10696110 |
| Molecular Formula | C10H9FO3 |
| Molecular Weight | 196.1751 |
| SMILES | OC(C1CC2=C(C=CC(=C2)F)OC1)=O |
| Synonyms | 6-Fluorochroman-3-carboxylic acid,
944899-27-8,
6-fluoro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid,
(R)-6-FLUOROCHROMAN-3-CARBOXYLIC ACID,
1229078-57-2,
6-FLUOROCHROMANE-3-CARBOXYLIC ACID,
SCHEMBL1519508,
DTXSID40681458,
MFCD10696110,
AKOS006302240,
AB56512,
NE43514,
AS-42611,
(S)-6-FLUOROCHROMAN-3-CARBOXYLIC ACID,
1229077-21-7,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.177g/mol |
| Monoisotopic Mass | 196.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number