| CAS Number | 1202-45-5 |
| Catalog Number | AG01DYHJ |
| Chemical Name | 2-[(cycloheptylideneamino)oxy]acetic acid |
| IUPAC Name | 2-(cycloheptylideneamino)oxyacetic acid |
| InChI | InChI=1S/C9H15NO3/c11-9(12)7-13-10-8-5-3-1-2-4-6-8/h1-7H2,(H,11,12) |
| InChI Key | UBJYWEPKULSKSZ-UHFFFAOYSA-N |
| MDL Number | MFCD19604307 |
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.2203 |
| SMILES | O=C(O)CO/N=C1CCCCCC/1 |
| Synonyms | 2-[(cycloheptylideneamino)oxy]acetic acid,
1202-45-5,
Acetic acid, 2-[(cycloheptylideneamino)oxy]-,
AKOS013245508,
2-({[(1E)-cycloheptylidene]amino}oxy)acetic acid,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.223g/mol |
| Monoisotopic Mass | 185.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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