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M-propoxyphenol

M-propoxyphenol

CAS: 16533-50-9

Formula: C9H12O2

SMILES: CCCOC1=CC(O)=CC=C1

IUPAC: 3-propoxyphenol

InChI: InChI=1S/C9H12O2/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7,10H,2,6H2,1H3

Composition: C (71.03%), H (7.95%), O (21.02%)

Molar Mass: 152.193

Atom Count: 23

Heavy Atom Count: 11

Properties
Properties
Common Names M-propoxyphenol
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 152.083729626
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YYMPIPSWQOGUME-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.77
Topological Polar Surface Area 29.46
Polarizability 17.13
Ring Count 1
Rotatable Bond Count 3

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