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637-21-8 | 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate hydrochloride
CAS No: 637-21-8 Catalog No: AG003QY1 MDL No:MFCD00050613
Product Description
Catalog Number:
AG003QY1
Chemical Name:
8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate hydrochloride
CAS Number:
637-21-8
Molecular Formula:
C16H22ClNO3
Molecular Weight:
311.8038
MDL Number:
MFCD00050613
IUPAC Name:
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate;hydrochloride
InChI:
InChI=1S/C16H21NO3.ClH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H
InChI Key:
FRMDDIJBLQNNTC-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C.Cl
EC Number:
211-280-0
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.129g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.806g/mol
Monoisotopic Mass:
311.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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