Home Other Building Blocks 1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one

1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one

CAS No.:
444815-09-2
Catalog Number:
AG01BF77
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
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Product Description
Catalog Number:
AG01BF77
Chemical Name:
1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
CAS Number:
444815-09-2
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD26905238
IUPAC Name:
1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
InChI:
InChI=1S/C11H13NO2/c13-8-9-3-1-4-10(7-9)12-6-2-5-11(12)14/h1,3-4,7,13H,2,5-6,8H2
InChI Key:
YJBPQVLWWIKHMW-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)N1CCCC1=O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties