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1131614-05-5 | 4-(AcetoxyMethyl)-3-iodobenzoic acid
CAS No: 1131614-05-5 Catalog No: AG00HCLN MDL No:
Product Description
Catalog Number:
AG00HCLN
Chemical Name:
4-(AcetoxyMethyl)-3-iodobenzoic acid
CAS Number:
1131614-05-5
IUPAC Name:
4-(acetyloxymethyl)-3-iodobenzoic acid
InChI:
InChI=1S/C10H9IO4/c1-6(12)15-5-8-3-2-7(10(13)14)4-9(8)11/h2-4H,5H2,1H3,(H,13,14)
InChI Key:
YYIHNJLQJXDLPQ-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.082g/mol
Monoisotopic Mass:
319.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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