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Home > Aldehydes > 154544-29-3
154544-29-3 | Benzaldehyde, 4-(2-hydroxyethoxy)-3-iodo-5-methoxy-
CAS No: 154544-29-3 Catalog No: AG007G2I MDL No:
Product Description
Catalog Number:
AG007G2I
Chemical Name:
Benzaldehyde, 4-(2-hydroxyethoxy)-3-iodo-5-methoxy-
CAS Number:
154544-29-3
Molecular Formula:
C10H11IO4
Molecular Weight:
322.0964
IUPAC Name:
4-(2-hydroxyethoxy)-3-iodo-5-methoxybenzaldehyde
InChI:
InChI=1S/C10H11IO4/c1-14-9-5-7(6-13)4-8(11)10(9)15-3-2-12/h4-6,12H,2-3H2,1H3
InChI Key:
QKGBFXYMUNMYLA-UHFFFAOYSA-N
SMILES:
OCCOc1c(I)cc(cc1OC)C=O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.97g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.098g/mol
Monoisotopic Mass:
321.97g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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