anisole

anisole

CAS: 100-66-3

Formula: C7H8O

SMILES: COC1=CC=CC=C1

IUPAC: anisole

InChI: InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

Composition: C (77.75%), H (7.46%), O (14.79%)

Molar Mass: 108.14

Atom Count: 16

Heavy Atom Count: 8

Properties
Properties
Common Names anizol; fema number 2097; hsdb 44
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 108.057514878
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RDOXTESZEPMUJZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.52
Topological Polar Surface Area 9.23
Polarizability 12.86
Ring Count 1
Rotatable Bond Count 1

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