Home Other Building Blocks 1-cyclopropyl-3-phenylpropane-1,3-dione

1-cyclopropyl-3-phenylpropane-1,3-dione

CAS No.:
30923-65-0
Catalog Number:
AG01AAZT
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
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Product Description
Catalog Number:
AG01AAZT
Chemical Name:
1-cyclopropyl-3-phenylpropane-1,3-dione
CAS Number:
30923-65-0
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD11178649
IUPAC Name:
1-cyclopropyl-3-phenylpropane-1,3-dione
InChI:
InChI=1S/C12H12O2/c13-11(8-12(14)10-6-7-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:
ZEPXXRGMHZRBKL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(=O)C1CC1
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties