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113317-82-1 | 2-Pyrrolidinemethanol, 1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-, (S)-
CAS No: 113317-82-1 Catalog No: AG007SLW MDL No:
Product Description
Catalog Number:
AG007SLW
Chemical Name:
2-Pyrrolidinemethanol, 1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-, (S)-
CAS Number:
113317-82-1
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
InChI:
InChI=1S/C11H16N2O3/c1-7-10(8(2)16-12-7)11(15)13-5-3-4-9(13)6-14/h9,14H,3-6H2,1-2H3
InChI Key:
XWKYMBLGGCOTCQ-UHFFFAOYSA-N
SMILES:
OC[C@@H]1CCCN1C(=O)c1c(C)noc1C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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