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16278-12-9 | Ethanone, 1-(1-ethylcyclopropyl)-
CAS No: 16278-12-9 Catalog No: AG001TF5 MDL No:
Product Description
Catalog Number:
AG001TF5
Chemical Name:
Ethanone, 1-(1-ethylcyclopropyl)-
CAS Number:
16278-12-9
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
1-(1-ethylcyclopropyl)ethanone
InChI:
InChI=1S/C7H12O/c1-3-7(4-5-7)6(2)8/h3-5H2,1-2H3
InChI Key:
VXBYIERHAQOMIY-UHFFFAOYSA-N
SMILES:
CCC1(CC1)C(=O)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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