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102069-84-1 | Methanone, [(2S)-2-(methoxymethyl)-1-pyrrolidinyl](2-methoxyphenyl)-
CAS No: 102069-84-1 Catalog No: AG0006IF MDL No:
Product Description
Catalog Number:
AG0006IF
Chemical Name:
Methanone, [(2S)-2-(methoxymethyl)-1-pyrrolidinyl](2-methoxyphenyl)-
CAS Number:
102069-84-1
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
InChI:
InChI=1S/C14H19NO3/c1-17-10-11-6-5-9-15(11)14(16)12-7-3-4-8-13(12)18-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m0/s1
InChI Key:
CECTWDBFDAJIEO-NSHDSACASA-N
SMILES:
COC[C@@H]1CCCN1C(=O)c1ccccc1OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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