Home Other Building Blocks oct-1-en-4-one

oct-1-en-4-one

CAS No.:
65807-62-7
Catalog Number:
AG01EM0R
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
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Product Description
Catalog Number:
AG01EM0R
Chemical Name:
oct-1-en-4-one
CAS Number:
65807-62-7
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00971437
IUPAC Name:
oct-1-en-4-one
InChI:
InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4H,2-3,5-7H2,1H3
InChI Key:
VMRLOKZWSLHCCZ-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC=C
Properties
Complexity:
94.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties