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4-methoxy-2,3,6-trimethylbenzaldehyde

4-methoxy-2,3,6-trimethylbenzaldehyde

CAS: 54344-92-2

Formula: C11H14O2

SMILES: COC1=C(C)C(C)=C(C=O)C(C)=C1

IUPAC: 4-methoxy-2,3,6-trimethylbenzaldehyde

InChI: InChI=1S/C11H14O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5-6H,1-4H3

Composition: C (74.13%), H (7.92%), O (17.95%)

Molar Mass: 178.231

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 178.099379691
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BTOFIDLWQJCUJG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.23
Topological Polar Surface Area 26.3
Polarizability 20.03
Ring Count 1
Rotatable Bond Count 2

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