CID 20141062
PubChem CID
20141062
Structure
Molecular Formula
Status
Non-live
Molecular Weight
178.23 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
3-(4-methoxyphenyl)but-1-en-2-ol
InChI=1S/C11H14O2/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-8,12H,2H2,1,3H3
BSORFDZFTHVRFX-UHFFFAOYSA-N
CC(C1=CC=C(C=C1)OC)C(=C)O
C11H14O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
178.23 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
178.099379685 g/mol
Property Name
Monoisotopic Mass
Property Value
178.099379685 g/mol
Property Name
Topological Polar Surface Area
Property Value
29.5 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
169
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
CONTENTS