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Home > Aldehydes > 921931-93-3
921931-93-3 | Benzaldehyde, 2-iodo-4-methoxy-3-(2-propen-1-yloxy)-
CAS No: 921931-93-3 Catalog No: AG00630X MDL No:
Product Description
Catalog Number:
AG00630X
Chemical Name:
Benzaldehyde, 2-iodo-4-methoxy-3-(2-propen-1-yloxy)-
CAS Number:
921931-93-3
Molecular Formula:
C11H11IO3
Molecular Weight:
318.1077
IUPAC Name:
2-iodo-4-methoxy-3-prop-2-enoxybenzaldehyde
InChI:
InChI=1S/C11H11IO3/c1-3-6-15-11-9(14-2)5-4-8(7-13)10(11)12/h3-5,7H,1,6H2,2H3
InChI Key:
XQRIRDSMOGNOGV-UHFFFAOYSA-N
SMILES:
C=CCOc1c(OC)ccc(c1I)C=O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.975g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.11g/mol
Monoisotopic Mass:
317.975g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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