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1241674-09-8 | Benzoic acid, 5-iodo-2-methoxy-4-methyl-
CAS No: 1241674-09-8 Catalog No: AG000LLB MDL No:MFCD16875644
Product Description
Catalog Number:
AG000LLB
Chemical Name:
Benzoic acid, 5-iodo-2-methoxy-4-methyl-
CAS Number:
1241674-09-8
Molecular Formula:
C9H9IO3
Molecular Weight:
292.0704
MDL Number:
MFCD16875644
IUPAC Name:
5-iodo-2-methoxy-4-methylbenzoic acid
InChI:
InChI=1S/C9H9IO3/c1-5-3-8(13-2)6(9(11)12)4-7(5)10/h3-4H,1-2H3,(H,11,12)
InChI Key:
ZMSRDJONMBQQAD-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1C(=O)O)I
Properties
Complexity:
195
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:
1
Isotope Atom Count:
0
Molecular Weight:
292.072g/mol
Monoisotopic Mass:
291.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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