Home Other Building Blocks 2-(oxiran-2-ylmethyl)-1,2-dihydrophthalazin-1-one

2-(oxiran-2-ylmethyl)-1,2-dihydrophthalazin-1-one

CAS No.:
953723-68-7
Catalog Number:
AG01A3UM
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG01A3UM
Chemical Name:
2-(oxiran-2-ylmethyl)-1,2-dihydrophthalazin-1-one
CAS Number:
953723-68-7
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD09730651
IUPAC Name:
2-(oxiran-2-ylmethyl)phthalazin-1-one
InChI:
InChI=1S/C11H10N2O2/c14-11-10-4-2-1-3-8(10)5-12-13(11)6-9-7-15-9/h1-5,9H,6-7H2
InChI Key:
MYBGXCJNDKKEGX-UHFFFAOYSA-N
SMILES:
O=c1n(ncc2c1cccc2)CC1CO1
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties