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71058-45-2 | 3-CYCLOPROPYL-2-BUTANONE
CAS No: 71058-45-2 Catalog No: AG005ESE MDL No:MFCD18813369
Product Description
Catalog Number:
AG005ESE
Chemical Name:
3-CYCLOPROPYL-2-BUTANONE
CAS Number:
71058-45-2
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD18813369
IUPAC Name:
3-cyclopropylbutan-2-one
InChI:
InChI=1S/C7H12O/c1-5(6(2)8)7-3-4-7/h5,7H,3-4H2,1-2H3
InChI Key:
PQNJFTBDGGXZHE-UHFFFAOYSA-N
SMILES:
CC(C(=O)C)C1CC1
Properties
Complexity:
103
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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