Home Other Building Blocks 5-methyl-5-phenylazepan-2-one

5-methyl-5-phenylazepan-2-one

CAS No.:
1803561-75-2
Catalog Number:
AG01B9A5
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
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Product Description
Catalog Number:
AG01B9A5
Chemical Name:
5-methyl-5-phenylazepan-2-one
CAS Number:
1803561-75-2
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
MDL Number:
MFCD24649796
IUPAC Name:
5-methyl-5-phenylazepan-2-one
InChI:
InChI=1S/C13H17NO/c1-13(11-5-3-2-4-6-11)8-7-12(15)14-10-9-13/h2-6H,7-10H2,1H3,(H,14,15)
InChI Key:
BNJMNDMSROAXRX-UHFFFAOYSA-N
SMILES:
O=C1NCCC(CC1)(C)c1ccccc1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties