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4643-27-0,MFCD00061023
Catalog No.:AA003HQX
4643-27-0 | 2-Octen-4-one
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Purity
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Price(USD)
Quantity
  
1g
96%
in stock  
$100.00   $70.00
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5g
96%
in stock  
$286.00   $200.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003HQX
Chemical Name:
2-Octen-4-one
CAS Number:
4643-27-0
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
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
SMILES:
CCCCC(=O)/C=C/C
EC Number:
225-071-7
UNII:
C9NB51LMXT
FEMA Number:
3603
Properties
Computed 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  

Synonyms
 
2-Octen-4-one 
4643-27-0 
MFCD00061023 
(2E)-2-Octen-4-one 
trans-2-Octen-4-one 
(E)-2-Octen-4-one 
2-Octen-4-one, (E)- 
2-Octen-4-one, (2E)- 
2-Octen-one 
AC1NSMHL 
(E)-2-Octene-4-one 
2-Octen-4-one, AldrichCPR 
Propenyl butyl ketone 
(2E)-2-Octen-4-one # 
FMDLEUPBHMCPQV-GQCTYLIASA-N 
ACM409029 
ZINC84843254 
AKOS025396811 
ACM4643270 
FCH1116702 
FCH2581301 
22286-99-3 
BBV-55042917 
Butyl propenyl ketone 
LS-179683 
TC-119190 
O0360 
I14-60537 
Methylheptenone 
2-octen-4-ona 
oct-2-en-4-one 
C8H14O 
C8-H14-O 
CID5365891 
UNII-C9NB51LMXT 
409-02-9 
(E)-oct-2-en-4-one 
2-Octen-4-one (natural) 
FEMA No. 3603 
EINECS 225-071-7 
C9NB51LMXT 
Literature
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