| CAS Number | 1185436-47-8 |
| Catalog Number | AG00J2ZW(AGN-PC-0WB67V) |
| Chemical Name | 2-(1-Isopropylpiperidin-4-yl)acetic acid hydrate |
| IUPAC Name | 2-(1-propan-2-ylpiperidin-4-yl)acetic acid;hydrate |
| InChI | InChI=1S/C10H19NO2.H2O/c1-8(2)11-5-3-9(4-6-11)7-10(12)13;/h8-9H,3-7H2,1-2H3,(H,12,13);1H2 |
| InChI Key | HQNSEIQRMVPILY-UHFFFAOYSA-N |
| MDL Number | MFCD13031908 |
| Molecular Formula | C10H21NO3 |
| Molecular Weight | 203.2786 |
| SMILES | N1(C(C)C)CCC(CC1)CC(O)=O.O |
| Synonyms | 1185436-47-8,
(1-isopropyl-4-piperidinyl)acetic acid hydrate,
2-(1-Isopropylpiperidin-4-yl)acetic acid hydrate,
ZX-CM011027,
MFCD13031908,
AKOS027426103,
A-6880,
4087856-25G,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.282g/mol |
| Monoisotopic Mass | 203.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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