3-ethoxy-5-iodo-4-(prop-2-en-1-yloxy)benzaldehyde

3-ethoxy-5-iodo-4-(prop-2-en-1-yloxy)benzaldehyde

CAS: 428471-45-8

Formula: C12H13IO3

SMILES: CCOC1=CC(C=O)=CC(I)=C1OCC=C

IUPAC: 3-ethoxy-5-iodo-4-(prop-2-en-1-yloxy)benzaldehyde

InChI: InChI=1S/C12H13IO3/c1-3-5-16-12-10(13)6-9(8-14)7-11(12)15-4-2/h3,6-8H,1,4-5H2,2H3

Composition: C (43.40%), H (3.95%), I (38.21%), O (14.45%)

Molar Mass: 332.137

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.99094
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XUDOKYIBWDDHMK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.84
Topological Polar Surface Area	35.53
Polarizability	27.71
Ring Count	1
Rotatable Bond Count	6

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