CID 17792986
PubChem CID
17792986
Structure
Molecular Formula
Status
Non-live
Molecular Weight
298.34 g/mol
Dates
- Create:2007-12-04
Chemical Structure Depiction
2-ethoxybenzaldehyde;N-methyl-1,3-benzoxazol-2-amine
InChI=1S/C9H10O2.C8H8N2O/c1-2-11-9-6-4-3-5-8(9)7-10;1-9-8-10-6-4-2-3-5-7(6)11-8/h3-7H,2H2,1H3;2-5H,1H3,(H,9,10)
GGZILDQSPNAHBY-UHFFFAOYSA-N
CCOC1=CC=CC=C1C=O.CNC1=NC2=CC=CC=C2O1
C17H18N2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
298.34 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
298.13174244 g/mol
Property Name
Monoisotopic Mass
Property Value
298.13174244 g/mol
Property Name
Topological Polar Surface Area
Property Value
64.4 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
263
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS