3-ethoxy-4-hydroxy-5-iodobenzaldehyde

3-ethoxy-4-hydroxy-5-iodobenzaldehyde

CAS: 6312-82-9

Formula: C9H9IO3

SMILES: CCOC1=CC(C=O)=CC(I)=C1O

IUPAC: 3-ethoxy-4-hydroxy-5-iodobenzaldehyde

InChI: InChI=1S/C9H9IO3/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-5,12H,2H2,1H3

Composition: C (37.01%), H (3.11%), I (43.45%), O (16.43%)

Molar Mass: 292.072

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	291.95964
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WFAHCDLEWJKPJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.2
Topological Polar Surface Area	46.53
Polarizability	22.49
Ring Count	1
Rotatable Bond Count	3

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