3-iodo-5-methoxy-4-propoxybenzaldehyde

3-iodo-5-methoxy-4-propoxybenzaldehyde

CAS: 106331-89-9

Formula: C11H13IO3

SMILES: CCCOC1=C(I)C=C(C=O)C=C1OC

IUPAC: 3-iodo-5-methoxy-4-propoxybenzaldehyde

InChI: InChI=1S/C11H13IO3/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-7H,3-4H2,1-2H3

Composition: C (41.27%), H (4.09%), I (39.64%), O (14.99%)

Molar Mass: 320.126

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	319.99094
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WJFHRYWKLRKARI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.2
Topological Polar Surface Area	35.53
Polarizability	26.16
Ring Count	1
Rotatable Bond Count	5

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