CID 545051
Chemical Structure Depiction
InChI=1S/C7H7/c1-2-6-4-5-7(6)3-1/h1-3H,4-5H2/q-5
MHACYCXECPJQFM-UHFFFAOYSA-N
C1C[C-]2[C-]1[CH-][CH-][CH-]2
C7H7-5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
91.13 g/mol
Property Name
XLogP3-AA
Property Value
3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
91.0547752233 g/mol
Property Name
Monoisotopic Mass
Property Value
91.0547752233 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
7
Property Name
Formal Charge
Property Value
-5
Property Name
Complexity
Property Value
66.1
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
Old substance
Old substance
CONTENTS