CID 57456940
PubChem CID
57456940
Structure
Molecular Formula
Status
Non-live
Molecular Weight
113.18 g/mol
Dates
- Create:2012-08-08
Chemical Structure Depiction
InChI=1S/C7H13O/c1-7(2)5-3-4-6-8-7/h3H,4-6H2,1-2H3
VVKNHNURQHBFRP-UHFFFAOYSA-N
CC1(C[CH]CCO1)C
C7H13O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
113.18 g/mol
Property Name
XLogP3-AA
Property Value
1.5
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
0
Property Name
Exact Mass
Property Value
113.096640034 g/mol
Property Name
Monoisotopic Mass
Property Value
113.096640034 g/mol
Property Name
Topological Polar Surface Area
Property Value
9.2 A^2
Property Name
Heavy Atom Count
Property Value
8
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
76.5
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