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102764-91-0 | 2-Pentanone, 4-methyl-4-(2-propyn-1-yloxy)-
CAS No: 102764-91-0 Catalog No: AG0008AU MDL No:
Product Description
Catalog Number:
AG0008AU
Chemical Name:
2-Pentanone, 4-methyl-4-(2-propyn-1-yloxy)-
CAS Number:
102764-91-0
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
4-methyl-4-prop-2-ynoxypentan-2-one
InChI:
InChI=1S/C9H14O2/c1-5-6-11-9(3,4)7-8(2)10/h1H,6-7H2,2-4H3
InChI Key:
ZPAIKVBVPPYBPH-UHFFFAOYSA-N
SMILES:
C#CCOC(CC(=O)C)(C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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