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89319-66-4 | 3-Decyn-5-one, 2,2-dimethyl-
CAS No: 89319-66-4 Catalog No: AG00404I MDL No:
Product Description
Catalog Number:
AG00404I
Chemical Name:
3-Decyn-5-one, 2,2-dimethyl-
CAS Number:
89319-66-4
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
2,2-dimethyldec-3-yn-5-one
InChI:
InChI=1S/C12H20O/c1-5-6-7-8-11(13)9-10-12(2,3)4/h5-8H2,1-4H3
InChI Key:
HBOLZOHBDZUTEY-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C#CC(C)(C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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