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1289585-49-4 | Pyrrolidine, 3-[(4-methylphenyl)methoxy]-, hydrochloride (1:1), (3R)-
CAS No: 1289585-49-4 Catalog No: AG000YPZ MDL No:
Product Description
Catalog Number:
AG000YPZ
Chemical Name:
Pyrrolidine, 3-[(4-methylphenyl)methoxy]-, hydrochloride (1:1), (3R)-
CAS Number:
1289585-49-4
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
IUPAC Name:
(3R)-3-[(4-methylphenyl)methoxy]pyrrolidine;hydrochloride
InChI:
InChI=1S/C12H17NO.ClH/c1-10-2-4-11(5-3-10)9-14-12-6-7-13-8-12;/h2-5,12-13H,6-9H2,1H3;1H/t12-;/m1./s1
InChI Key:
RSVSJIDDCJEPCR-UTONKHPSSA-N
SMILES:
Cc1ccc(cc1)CO[C@H]1CNCC1.Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.732g/mol
Monoisotopic Mass:
227.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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