Home Other Building Blocks hept-6-en-3-one

hept-6-en-3-one

CAS No.:
2565-39-1
Catalog Number:
AG01A9A2
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG01A9A2
Chemical Name:
hept-6-en-3-one
CAS Number:
2565-39-1
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD11655265
IUPAC Name:
hept-6-en-3-one
InChI:
InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h3H,1,4-6H2,2H3
InChI Key:
BSYCQORECWMSQX-UHFFFAOYSA-N
SMILES:
CCC(=O)CCC=C
Properties
Complexity:
84.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties