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828276-65-9 | Butanoic acid, 3-hydroxy-4-iodo-, 1-methylethyl ester
CAS No: 828276-65-9 Catalog No: AG0055PD MDL No:
Product Description
Catalog Number:
AG0055PD
Chemical Name:
Butanoic acid, 3-hydroxy-4-iodo-, 1-methylethyl ester
CAS Number:
828276-65-9
Molecular Formula:
C7H13IO3
Molecular Weight:
272.0808
IUPAC Name:
propan-2-yl 3-hydroxy-4-iodobutanoate
InChI:
InChI=1S/C7H13IO3/c1-5(2)11-7(10)3-6(9)4-8/h5-6,9H,3-4H2,1-2H3
InChI Key:
ZIKBGGDZBKRRSD-UHFFFAOYSA-N
SMILES:
ICC(CC(=O)OC(C)C)O
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.082g/mol
Monoisotopic Mass:
271.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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