Home Other Building Blocks 1-[2-(4-methoxyphenyl)cyclopropyl]ethan-1-one, trans

1-[2-(4-methoxyphenyl)cyclopropyl]ethan-1-one, trans

CAS No.:
30625-68-4
Catalog Number:
AG01B9FK
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
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Product Description
Catalog Number:
AG01B9FK
Chemical Name:
1-[2-(4-methoxyphenyl)cyclopropyl]ethan-1-one, trans
CAS Number:
30625-68-4
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD19237705
IUPAC Name:
1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanone
InChI:
InChI=1S/C12H14O2/c1-8(13)11-7-12(11)9-3-5-10(14-2)6-4-9/h3-6,11-12H,7H2,1-2H3/t11-,12+/m0/s1
InChI Key:
CIFHCHHNJJMKPJ-NWDGAFQWSA-N
SMILES:
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)C
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties