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105665-27-8 | Pentanoic acid, 2-acetyl-5-iodo-2-methyl-, ethyl ester
CAS No: 105665-27-8 Catalog No: AG007VIW MDL No:
Product Description
Catalog Number:
AG007VIW
Chemical Name:
Pentanoic acid, 2-acetyl-5-iodo-2-methyl-, ethyl ester
CAS Number:
105665-27-8
Molecular Formula:
C10H17IO3
Molecular Weight:
312.1447
IUPAC Name:
ethyl 2-acetyl-5-iodo-2-methylpentanoate
InChI:
InChI=1S/C10H17IO3/c1-4-14-9(13)10(3,8(2)12)6-5-7-11/h4-7H2,1-3H3
InChI Key:
RFDISOORNAGOJI-UHFFFAOYSA-N
SMILES:
ICCCC(C(=O)OCC)(C(=O)C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.147g/mol
Monoisotopic Mass:
312.022g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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