200,000+ products from a single source!
sales@angenechem.com
5438-36-8 | 4-Hydroxy-3-iodo-5-methoxybenzaldehyde
CAS No: 5438-36-8 Catalog No: AG003MTE MDL No:MFCD00006941
Product Description
Catalog Number:
AG003MTE
Chemical Name:
4-Hydroxy-3-iodo-5-methoxybenzaldehyde
CAS Number:
5438-36-8
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0439
MDL Number:
MFCD00006941
IUPAC Name:
4-hydroxy-3-iodo-5-methoxybenzaldehyde
InChI:
InChI=1S/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChI Key:
FBBCSYADXYILEH-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1O)I
EC Number:
226-617-7
NSC Number:
16678
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.045g/mol
Monoisotopic Mass:
277.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Vibrational analysis of substituted phenols: part II. Transferability of valence force constants. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20021201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.