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6-methoxy-2,2-dimethyl-3H-inden-1-one

6-methoxy-2,2-dimethyl-3H-inden-1-one

CAS: 124688-07-9

Formula: C12H14O2

SMILES: COC1=CC2=C(CC(C)(C)C2=O)C=C1

IUPAC: 6-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-one

InChI: InChI=1S/C12H14O2/c1-12(2)7-8-4-5-9(14-3)6-10(8)11(12)13/h4-6H,7H2,1-3H3

Composition: C (75.76%), H (7.42%), O (16.82%)

Molar Mass: 190.242

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 190.099379691
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NFXFFWSSQPGDOX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.26
Topological Polar Surface Area 26.3
Polarizability 21.37
Ring Count 2
Rotatable Bond Count 1

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