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1131614-76-0 | 3-Iodo-4-(pivaloyloxy)benzoic acid
CAS No: 1131614-76-0 Catalog No: AG00HCN7 MDL No:
Product Description
Catalog Number:
AG00HCN7
Chemical Name:
3-Iodo-4-(pivaloyloxy)benzoic acid
CAS Number:
1131614-76-0
IUPAC Name:
4-(2,2-dimethylpropanoyloxy)-3-iodobenzoic acid
InChI:
InChI=1S/C12H13IO4/c1-12(2,3)11(16)17-9-5-4-7(10(14)15)6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChI Key:
ASTPVDODZJLOLA-UHFFFAOYSA-N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.136g/mol
Monoisotopic Mass:
347.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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