CID 542940
Chemical Structure Depiction
InChI=1S/C9H10/c1-7-6-8-4-2-3-5-9(7)8/h2-5,7H,6H2,1H3/q-6
JWFMPNSSCSNZAA-UHFFFAOYSA-N
CC1C[C-]2[C-]1[CH-][CH-][CH-][CH-]2
C9H10-6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
118.18 g/mol
Property Name
XLogP3-AA
Property Value
3.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
118.078250319 g/mol
Property Name
Monoisotopic Mass
Property Value
118.078250319 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
9
Property Name
Formal Charge
Property Value
-6
Property Name
Complexity
Property Value
107
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
1
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
CONTENTS