Home Other Building Blocks 5-methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one

5-methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one

CAS No.:
60812-53-5
Catalog Number:
AG01BCT7
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
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Product Description
Catalog Number:
AG01BCT7
Chemical Name:
5-methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one
CAS Number:
60812-53-5
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD09035361
IUPAC Name:
5-methoxy-3,3-dimethyl-2H-inden-1-one
InChI:
InChI=1S/C12H14O2/c1-12(2)7-11(13)9-5-4-8(14-3)6-10(9)12/h4-6H,7H2,1-3H3
InChI Key:
VQJNJGBSRXLRSA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C)(C)CC2=O
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties