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61203-48-3 | 4,5-DIMETHOXY-2-IODOBENZOIC ACID
CAS No: 61203-48-3 Catalog No: AG00EAAQ MDL No:MFCD00079751
Product Description
Catalog Number:
AG00EAAQ
Chemical Name:
4,5-DIMETHOXY-2-IODOBENZOIC ACID
CAS Number:
61203-48-3
Molecular Formula:
C9H9IO4
Molecular Weight:
308.0698
MDL Number:
MFCD00079751
IUPAC Name:
2-iodo-4,5-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9IO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
HLLHFIIJEOARHX-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1OC)I
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.071g/mol
Monoisotopic Mass:
307.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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