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1-ethynyl-3-methylbenzene

1-ethynyl-3-methylbenzene

CAS: 766-82-5

Formula: C9H8

SMILES: CC1=CC(=CC=C1)C#C

IUPAC: 1-ethynyl-3-methylbenzene

InChI: InChI=1S/C9H8/c1-3-9-6-4-5-8(2)7-9/h1,4-7H,2H3

Composition: C (93.06%), H (6.94%)

Molar Mass: 116.163

Atom Count: 17

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 116.0626002576
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey RENYIDZOAFFNHC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.27
Topological Polar Surface Area 0
Polarizability 14.73
Ring Count 1
Rotatable Bond Count 0

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