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89597-94-4 | 1-Pyrrolidinecarboxaldehyde, 2-[(phenylmethoxy)methyl]-, (S)-
CAS No: 89597-94-4 Catalog No: AG003WUR MDL No:
Product Description
Catalog Number:
AG003WUR
Chemical Name:
1-Pyrrolidinecarboxaldehyde, 2-[(phenylmethoxy)methyl]-, (S)-
CAS Number:
89597-94-4
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
2-(phenylmethoxymethyl)pyrrolidine-1-carbaldehyde
InChI:
InChI=1S/C13H17NO2/c15-11-14-8-4-7-13(14)10-16-9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2
InChI Key:
XWIZWFZJXAWAOM-UHFFFAOYSA-N
SMILES:
O=CN1CCC[C@H]1COCc1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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