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20669-04-9 | 2-Pentanone, 3,3-dimethyl-
CAS No: 20669-04-9 Catalog No: AG002IM4 MDL No:MFCD02181195
Product Description
Catalog Number:
AG002IM4
Chemical Name:
2-Pentanone, 3,3-dimethyl-
CAS Number:
20669-04-9
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
MDL Number:
MFCD02181195
IUPAC Name:
3,3-dimethylpentan-2-one
InChI:
InChI=1S/C7H14O/c1-5-7(3,4)6(2)8/h5H2,1-4H3
InChI Key:
QSHJLBQLQVSEFV-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C)(C)C
Properties
Complexity:
92.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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