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80345-21-7 | 2-Butanone, 3-(1-chlorocyclopropyl)-
CAS No: 80345-21-7 Catalog No: AG005BHU MDL No:
Product Description
Catalog Number:
AG005BHU
Chemical Name:
2-Butanone, 3-(1-chlorocyclopropyl)-
CAS Number:
80345-21-7
Molecular Formula:
C7H11ClO
Molecular Weight:
146.6146
IUPAC Name:
3-(1-chlorocyclopropyl)butan-2-one
InChI:
InChI=1S/C7H11ClO/c1-5(6(2)9)7(8)3-4-7/h5H,3-4H2,1-2H3
InChI Key:
MVLBPHJFVPBHRB-UHFFFAOYSA-N
SMILES:
CC(C1(Cl)CC1)C(=O)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.05g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.614g/mol
Monoisotopic Mass:
146.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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