| CAS Number | 712270-39-8 |
| Catalog Number | AG00FXY5(AGN-PC-0WAJUZ) |
| Chemical Name | 3-Piperidinecarboxylic acid, 1-acetyl-, (3R)- (9CI) |
| IUPAC Name | (3R)-1-acetylpiperidine-3-carboxylic acid |
| InChI | InChI=1S/C8H13NO3/c1-6(10)9-4-2-3-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m1/s1 |
| InChI Key | ODPIDTOGVIDBLN-SSDOTTSWSA-N |
| MDL Number | MFCD11617911 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | O=C([C@H]1CN(C(C)=O)CCC1)O |
| Synonyms | (3R)-1-acetylpiperidine-3-carboxylic Acid,
712270-39-8,
(R)-1-acetylpiperidine-3-carboxylic acid,
AC1OFKN6,
SCHEMBL6831699,
ZINC4218540,
MFCD11617911,
AKOS017514999,
KS-000008R2,
AJ-49064,
AS-54043,
CS-0053344,
3-piperidinecarboxylic acid,1-acetyl-,(3r)-,
CID7131086,
3-Piperidinecarboxylic acid, 1-acetyl-, (3R)- (9CI),
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number