Home Other Building Blocks 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one

4-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one

CAS No.:
1315366-88-1
Catalog Number:
AG01AJGG
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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Product Description
Catalog Number:
AG01AJGG
Chemical Name:
4-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CAS Number:
1315366-88-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD19382290
IUPAC Name:
4-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
InChI:
InChI=1S/C13H17NO3/c1-14-12(16)7-10(8-15)13(14)9-3-5-11(17-2)6-4-9/h3-6,10,13,15H,7-8H2,1-2H3
InChI Key:
JGWMURNQDNQMFL-UHFFFAOYSA-N
SMILES:
OCC1CC(=O)N(C1c1ccc(cc1)OC)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties