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1245648-74-1 | 3-Pyrrolidinemethanol, 2-(4-methoxyphenyl)-, (2R,3R)-rel-
CAS No: 1245648-74-1 Catalog No: AG000MCB MDL No:
Product Description
Catalog Number:
AG000MCB
Chemical Name:
3-Pyrrolidinemethanol, 2-(4-methoxyphenyl)-, (2R,3R)-rel-
CAS Number:
1245648-74-1
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
[(2R,3R)-2-(4-methoxyphenyl)pyrrolidin-3-yl]methanol
InChI:
InChI=1S/C12H17NO2/c1-15-11-4-2-9(3-5-11)12-10(8-14)6-7-13-12/h2-5,10,12-14H,6-8H2,1H3/t10-,12-/m0/s1
InChI Key:
MMRCYRSNAOYMIJ-JQWIXIFHSA-N
SMILES:
OC[C@@H]1CCN[C@H]1c1ccc(cc1)OC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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