Home Other Building Blocks 2,2-dimethylhept-6-yn-3-one

2,2-dimethylhept-6-yn-3-one

CAS No.:
51060-08-3
Catalog Number:
AG01E71P
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
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Product Description
Catalog Number:
AG01E71P
Chemical Name:
2,2-dimethylhept-6-yn-3-one
CAS Number:
51060-08-3
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD11655239
IUPAC Name:
2,2-dimethylhept-6-yn-3-one
InChI:
InChI=1S/C9H14O/c1-5-6-7-8(10)9(2,3)4/h1H,6-7H2,2-4H3
InChI Key:
ZLZIKZDHXTXQJU-UHFFFAOYSA-N
SMILES:
C#CCCC(=O)C(C)(C)C
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties