CID 57429158
PubChem CID
57429158
Structure
Molecular Formula
Status
Non-live
Molecular Weight
120.17 g/mol
Dates
- Create:2012-08-08
Chemical Structure Depiction
InChI=1S/C8H10N/c1-2-4-8-5-3-6-9-7-8/h3,5-7H,1-2,4H2
DGEDRPGNVYZLIS-UHFFFAOYSA-N
[CH2]CCC1=CN=CC=C1
C8H10N
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
120.17 g/mol
Property Name
XLogP3
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
120.081324323 g/mol
Property Name
Monoisotopic Mass
Property Value
120.081324323 g/mol
Property Name
Topological Polar Surface Area
Property Value
12.9 A^2
Property Name
Heavy Atom Count
Property Value
9
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
71
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
Old substance
CONTENTS