CID 36689172
PubChem CID
36689172
Structure
Molecular Formula
Status
Non-live
Molecular Weight
163.17 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-2-methyl-2,3-dihydro-1,3-benzoxazin-4-one
InChI=1S/C9H9NO2/c1-6-10-9(11)7-4-2-3-5-8(7)12-6/h2-6H,1H3,(H,10,11)/t6-/m0/s1
MOFJSTXFUSYCDO-LURJTMIESA-N
C[C@H]1NC(=O)C2=CC=CC=C2O1
C9H9NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
163.17 g/mol
Property Name
XLogP3-AA
Property Value
1.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
163.063328530 g/mol
Property Name
Monoisotopic Mass
Property Value
163.063328530 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
193
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
Old substance
CONTENTS