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27631-12-5 | 2-Piperidinehexanoic acid, 5-hydroxy-6-methyl-, (2R,5S,6S)-
CAS No: 27631-12-5 Catalog No: AG002UAB MDL No:
Product Description
Catalog Number:
AG002UAB
Chemical Name:
2-Piperidinehexanoic acid, 5-hydroxy-6-methyl-, (2R,5S,6S)-
CAS Number:
27631-12-5
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
IUPAC Name:
6-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]hexanoic acid
InChI:
InChI=1S/C12H23NO3/c1-9-11(14)8-7-10(13-9)5-3-2-4-6-12(15)16/h9-11,13-14H,2-8H2,1H3,(H,15,16)/t9-,10+,11-/m0/s1
InChI Key:
ADMNHNZJXWNVSC-AXFHLTTASA-N
SMILES:
OC(=O)CCCCC[C@@H]1CC[C@@H]([C@@H](N1)C)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
229.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.32g/mol
Monoisotopic Mass:
229.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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