Home Other Building Blocks METHYL 3-(TETRAHYDRO-2H-PYRAN-4-YL)PYRROLIDINE-3-CARBOXYLATE HCL

METHYL 3-(TETRAHYDRO-2H-PYRAN-4-YL)PYRROLIDINE-3-CARBOXYLATE HCL

CAS No.:
1823391-93-0
Catalog Number:
AG01EHUS
Molecular Formula:
C11H20ClNO3
Molecular Weight:
249.7344
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Product Description
Catalog Number:
AG01EHUS
Chemical Name:
METHYL 3-(TETRAHYDRO-2H-PYRAN-4-YL)PYRROLIDINE-3-CARBOXYLATE HCL
CAS Number:
1823391-93-0
Molecular Formula:
C11H20ClNO3
Molecular Weight:
249.7344
MDL Number:
MFCD28038284
IUPAC Name:
methyl 3-(oxan-4-yl)pyrrolidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C11H19NO3.ClH/c1-14-10(13)11(4-5-12-8-11)9-2-6-15-7-3-9;/h9,12H,2-8H2,1H3;1H
InChI Key:
XIONLFLMYJTAJN-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CNCC1)C1CCOCC1.Cl
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.113g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.735g/mol
Monoisotopic Mass:
249.113g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties