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71064-03-4 | Benzaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-3-iodo-
CAS No: 71064-03-4 Catalog No: AG005ES6 MDL No:
Product Description
Catalog Number:
AG005ES6
Chemical Name:
Benzaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-3-iodo-
CAS Number:
71064-03-4
Molecular Formula:
C11H13IO2
Molecular Weight:
304.1242
IUPAC Name:
5-tert-butyl-2-hydroxy-3-iodobenzaldehyde
InChI:
InChI=1S/C11H13IO2/c1-11(2,3)8-4-7(6-13)10(14)9(12)5-8/h4-6,14H,1-3H3
InChI Key:
UFURNVFJZSEWQX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)I)C(C)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.127g/mol
Monoisotopic Mass:
303.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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