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14113-91-8 | 2-Butanone, 1-cyclopropyl-
CAS No: 14113-91-8 Catalog No: AG001FYV MDL No:
Product Description
Catalog Number:
AG001FYV
Chemical Name:
2-Butanone, 1-cyclopropyl-
CAS Number:
14113-91-8
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
1-cyclopropylbutan-2-one
InChI:
InChI=1S/C7H12O/c1-2-7(8)5-6-3-4-6/h6H,2-5H2,1H3
InChI Key:
CWBXRPMPOBUVMH-UHFFFAOYSA-N
SMILES:
CCC(=O)CC1CC1
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:
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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