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Home Other Building Blocks 3-hydroxy-3-phenylazepan-2-one

3-hydroxy-3-phenylazepan-2-one

CAS No.:
51129-01-2
Catalog Number:
AG01DJBY
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
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Product Description
Catalog Number:
AG01DJBY
Chemical Name:
3-hydroxy-3-phenylazepan-2-one
CAS Number:
51129-01-2
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD24555534
IUPAC Name:
3-hydroxy-3-phenylazepan-2-one
InChI:
InChI=1S/C12H15NO2/c14-11-12(15,8-4-5-9-13-11)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H,13,14)
InChI Key:
OCIAAOQWPUUHNB-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1(O)c1ccccc1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Design, synthesis, and development of novel caprolactam anticonvulsants. Bioorganic & medicinal chemistry 20030901
Properties