| CAS Number | 1363383-32-7 |
| Catalog Number | AG0011RK(AGN-PC-0WA6CW) |
| Chemical Name | 2-Azaspiro[3.3]heptane-2-carboxylic acid, 6-hydroxy-, phenylmethyl ester |
| IUPAC Name | benzyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate |
| InChI | InChI=1S/C14H17NO3/c16-12-6-14(7-12)9-15(10-14)13(17)18-8-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2 |
| InChI Key | OPHVFICSPMLQLE-UHFFFAOYSA-N |
| MDL Number | MFCD22415206 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | O=C(N1CC2(CC(O)C2)C1)OCC3=CC=CC=C3 |
| Synonyms | 1363383-32-7,
benzyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate,
2-CBZ-6-HYDROXY-2-AZASPIRO[3.3]HEPTANE,
hydroxy-2-azaspiro[3.3]heptane,
MFCD22415206,
ZINC95628895,
AKOS025290009,
FCH2881678,
PB11787,
KS-000007B7,
AK172062,
AS-34615,
CS-0049821,
Q-2282,
Benzyl 2-hydroxy-6-azaspiro[3.3]heptane-6-carboxylate,
F2147-2629,
2-Azaspiro[3.3]heptane-2-carboxylic acid, 6-hydroxy-, phenylmethyl ester,
OPHVFICSPMLQLE-UHFFFAOYSA-N,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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