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7-ethynyl-4,4-dimethyl-2,3-dihydronaphthalen-1-one

7-ethynyl-4,4-dimethyl-2,3-dihydronaphthalen-1-one

CAS: 166978-48-9

Formula: C14H14O

SMILES: CC1(C)CCC(=O)C2=C1C=CC(=C2)C#C

IUPAC: 7-ethynyl-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one

InChI: InChI=1S/C14H14O/c1-4-10-5-6-12-11(9-10)13(15)7-8-14(12,2)3/h1,5-6,9H,7-8H2,2-3H3

Composition: C (84.81%), H (7.12%), O (8.07%)

Molar Mass: 198.265

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.104465071
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey FSENXSHCDBCKEZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.52
Topological Polar Surface Area 17.07
Polarizability 23.29
Ring Count 2
Rotatable Bond Count 0

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