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Home > Aldehydes > 138490-95-6
138490-95-6 | 2-Iodo-3,4-dimethoxybenzaldehyde
CAS No: 138490-95-6 Catalog No: AG00199W MDL No:MFCD14705134
Product Description
Catalog Number:
AG00199W
Chemical Name:
2-Iodo-3,4-dimethoxybenzaldehyde
CAS Number:
138490-95-6
Molecular Formula:
C9H9IO3
Molecular Weight:
292.0704
MDL Number:
MFCD14705134
IUPAC Name:
2-iodo-3,4-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H9IO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-5H,1-2H3
InChI Key:
DTUHGWFWMWDFOC-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1I)C=O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.072g/mol
Monoisotopic Mass:
291.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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