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4643-27-0

4643-27-0 | 2-OCTEN-4-ONE

CAS No: 4643-27-0 Catalog No: AG003HTP MDL No:MFCD00061023

Product Description

Catalog Number:
AG003HTP
Chemical Name:
2-OCTEN-4-ONE
CAS Number:
4643-27-0
MDL Number:
MFCD00061023
IUPAC Name:
(E)-oct-2-en-4-one
InChI:
InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
InChI Key:
FMDLEUPBHMCPQV-GQCTYLIASA-N
EC Number:
225-071-7
UNII:
C9NB51LMXT
FEMA Number:
3603

Properties

Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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