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127390-84-5 | 3,8-Nonadiyn-2-one
CAS No: 127390-84-5 Catalog No: AG000X1F MDL No:MFCD18817534
Product Description
Catalog Number:
AG000X1F
Chemical Name:
3,8-Nonadiyn-2-one
CAS Number:
127390-84-5
Molecular Formula:
C9H10O
Molecular Weight:
134.1751
MDL Number:
MFCD18817534
IUPAC Name:
nona-3,8-diyn-2-one
InChI:
InChI=1S/C9H10O/c1-3-4-5-6-7-8-9(2)10/h1H,4-6H2,2H3
InChI Key:
UUOSXHBKPABHBD-UHFFFAOYSA-N
SMILES:
CC(=O)C#CCCCC#C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.178g/mol
Monoisotopic Mass:
134.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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