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114913-56-3

114913-56-3 | Ethanone, 1-(5-methoxy-1H-1,4-diazepin-1-yl)-

CAS No: 114913-56-3 Catalog No: AG000FG1 MDL No:

Product Description

Catalog Number:
AG000FG1
Chemical Name:
Ethanone, 1-(5-methoxy-1H-1,4-diazepin-1-yl)-
CAS Number:
114913-56-3
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
1-(5-methoxy-1,4-diazepin-1-yl)ethanone
InChI:
InChI=1S/C8H10N2O2/c1-7(11)10-5-3-8(12-2)9-4-6-10/h3-6H,1-2H3
InChI Key:
VBERMMHPHWXWMB-UHFFFAOYSA-N
SMILES:
COC1=NC=CN(C=C1)C(=O)C

Properties

Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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