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3,4,5-trimethylphenol

3,4,5-trimethylphenol

CAS: 527-54-8

Formula: C9H12O

SMILES: CC1=CC(O)=CC(C)=C1C

IUPAC: 3,4,5-trimethylphenol

InChI: InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3

Composition: C (79.37%), H (8.88%), O (11.75%)

Molar Mass: 136.194

Atom Count: 22

Heavy Atom Count: 10

Properties
Properties
Common Names 3,4,5-hemimellitenol
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 136.088815006
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FDQQNNZKEJIHMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.16
Topological Polar Surface Area 20.23
Polarizability 16.24
Ring Count 1
Rotatable Bond Count 0

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