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102069-85-2 | Methanone, [(2S)-2-[(methoxymethoxy)methyl]-1-pyrrolidinyl](2-methoxyphenyl)-
CAS No: 102069-85-2 Catalog No: AG0006IE MDL No:
Product Description
Catalog Number:
AG0006IE
Chemical Name:
Methanone, [(2S)-2-[(methoxymethoxy)methyl]-1-pyrrolidinyl](2-methoxyphenyl)-
CAS Number:
102069-85-2
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
[2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
InChI:
InChI=1S/C15H21NO4/c1-18-11-20-10-12-6-5-9-16(12)15(17)13-7-3-4-8-14(13)19-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChI Key:
ISPXNPHIZYEDHV-UHFFFAOYSA-N
SMILES:
COCOC[C@@H]1CCCN1C(=O)c1ccccc1OC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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