Home Other Building Blocks 3-(hydroxymethyl)-1-methylazepan-2-one

3-(hydroxymethyl)-1-methylazepan-2-one

CAS No.:
2031268-78-5
Catalog Number:
AG01B71B
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
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Product Description
Catalog Number:
AG01B71B
Chemical Name:
3-(hydroxymethyl)-1-methylazepan-2-one
CAS Number:
2031268-78-5
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD30344861
IUPAC Name:
3-(hydroxymethyl)-1-methylazepan-2-one
InChI:
InChI=1S/C8H15NO2/c1-9-5-3-2-4-7(6-10)8(9)11/h7,10H,2-6H2,1H3
InChI Key:
DARJEPOQRGOEIL-UHFFFAOYSA-N
SMILES:
OCC1CCCCN(C1=O)C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties