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oct-7-ynal

CAS No.:
821-75-0
Catalog Number:
AG01C12Q
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
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Product Description
Catalog Number:
AG01C12Q
Chemical Name:
oct-7-ynal
CAS Number:
821-75-0
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
oct-7-ynal
InChI:
InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h1,8H,3-7H2
InChI Key:
OEPKOGKYPMWNSI-UHFFFAOYSA-N
SMILES:
O=CCCCCCC#C
Properties
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties