Home Other Building Blocks 3-(4-hydroxyphenoxy)azepan-2-one

3-(4-hydroxyphenoxy)azepan-2-one

CAS No.:
1094342-38-7
Catalog Number:
AG01AA3D
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
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Product Description
Catalog Number:
AG01AA3D
Chemical Name:
3-(4-hydroxyphenoxy)azepan-2-one
CAS Number:
1094342-38-7
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD11181754
IUPAC Name:
3-(4-hydroxyphenoxy)azepan-2-one
InChI:
InChI=1S/C12H15NO3/c14-9-4-6-10(7-5-9)16-11-3-1-2-8-13-12(11)15/h4-7,11,14H,1-3,8H2,(H,13,15)
InChI Key:
ZRDSKVPEERFXRU-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1Oc1ccc(cc1)O
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties