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2,4-dimethoxybenzaldehyd

2,4-dimethoxybenzaldehyd

CAS: 613-45-6

Formula: C9H10O3

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

IUPAC: 2,4-dimethoxybenzaldehyde

InChI: InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3

Composition: C (65.05%), H (6.07%), O (28.88%)

Molar Mass: 166.176

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names 2,4-dimethoxybenzaldehyd
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 166.062994182
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey LWRSYTXEQUUTKW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.57
Topological Polar Surface Area 35.53
Polarizability 17.27
Ring Count 1
Rotatable Bond Count 3

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