200,000+ products from a single source!
sales@angenechem.com
823789-49-7 | Benzoic acid, 6-hydroxy-3-iodo-4-methoxy-2-methyl-, methyl ester
CAS No: 823789-49-7 Catalog No: AG0053F3 MDL No:
Product Description
Catalog Number:
AG0053F3
Chemical Name:
Benzoic acid, 6-hydroxy-3-iodo-4-methoxy-2-methyl-, methyl ester
CAS Number:
823789-49-7
Molecular Formula:
C10H11IO4
Molecular Weight:
322.0964
IUPAC Name:
methyl 6-hydroxy-3-iodo-4-methoxy-2-methylbenzoate
InChI:
InChI=1S/C10H11IO4/c1-5-8(10(13)15-3)6(12)4-7(14-2)9(5)11/h4,12H,1-3H3
InChI Key:
SPEFZSYKOXMHRZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)cc(c(c1C)I)OC
Properties
Complexity:
234
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:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.